raw/hiqbind_poly_metadata.csv

PDBID,Resolution,Year,Ligand Name,Ligand Chain,Ligand Residue Number,Binding Affinity Measurement,Binding Affinity Sign,Binding Affinity Value,Binding Affinity Unit,Log Binding Affinity,Binding Affinity Source,Binding Affinity Annotation,Protein UniProtID,Protein UniProtName,Ligand SMILES,Ligand MW,Ligand LogP,Ligand TPSA,Ligand NumRotBond,Ligand NumHeavyAtoms,Ligand NumHDon,Ligand NumHAcc,Ligand QED
1a08,2.2,1998,ACE-DIP,C,100-103,kd,=,2.4,uM,-5.619788758288394,MOAD,Kd=2.4uM,"P12931,P12931","C-SRC TYROSINE KINASE,C-SRC TYROSINE KINASE",CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(C(F)(F)P(=O)([O-])[O-])cc1)NC(C)=O,602.592,0.920700000000001,181.83,19,41,2,8,0.1731215711367825
1a08,2.2,1998,ACE-DIP,D,100-103,kd,=,2.4,uM,-5.619788758288394,MOAD,Kd=2.4uM,P12931,C-SRC TYROSINE KINASE,CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(C(F)(F)P(=O)([O-])[O-])cc1)NC(C)=O,602.592,0.920700000000001,181.83,19,41,2,8,0.1731215711367825
1a0t,2.4,1998,GLC-FRU,A,1-2,kd,=,50.0,mM,-1.3010299956639813,MOAD,Kd=50.0mM,"P22340,P22340","SUCROSE-SPECIFIC PORIN,SUCROSE-SPECIFIC PORIN",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,342.297,-5.395599999999992,189.52999999999997,5,23,8,11,0.2378914345193498
1a0t,2.4,1998,GLC-FRU,B,1-2,kd,=,50.0,mM,-1.3010299956639813,MOAD,Kd=50.0mM,P22340,SUCROSE-SPECIFIC PORIN,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,342.297,-5.395599999999992,189.52999999999997,5,23,8,11,0.2378914345193498
1a0t,2.4,1998,GLC-FRU,C,1-2,kd,=,50.0,mM,-1.3010299956639813,MOAD,Kd=50.0mM,"P22340,P22340","SUCROSE-SPECIFIC PORIN,SUCROSE-SPECIFIC PORIN",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,342.297,-5.395599999999992,189.52999999999997,5,23,8,11,0.2378914345193498
1a0t,2.4,1998,GLC-FRU,D,1-2,kd,=,50.0,mM,-1.3010299956639813,MOAD,Kd=50.0mM,P22340,SUCROSE-SPECIFIC PORIN,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,342.297,-5.395599999999992,189.52999999999997,5,23,8,11,0.2378914345193498
1a0t,2.4,1998,GLC-FRU,E,1-2,kd,=,50.0,mM,-1.3010299956639813,MOAD,Kd=50.0mM,"P22340,P22340","SUCROSE-SPECIFIC PORIN,SUCROSE-SPECIFIC PORIN",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,342.297,-5.395599999999992,189.52999999999997,5,23,8,11,0.2378914345193498
1a0t,2.4,1998,GLC-FRU,F,1-2,kd,=,50.0,mM,-1.3010299956639813,MOAD,Kd=50.0mM,P22340,SUCROSE-SPECIFIC PORIN,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,342.297,-5.395599999999992,189.52999999999997,5,23,8,11,0.2378914345193498
1a1b,2.2,1998,ACE-DIP,C,100-103,kd,=,0.4,uM,-6.3979400086720375,MOAD,Kd=0.4uM,"P12931,P12931","C-SRC TYROSINE KINASE,C-SRC TYROSINE KINASE",CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(C)=O,568.5840000000003,0.16520000000000268,191.06,19,39,2,9,0.17287526156616445
1a1b,2.2,1998,ACE-DIP,D,100-103,kd,=,0.4,uM,-6.3979400086720375,MOAD,Kd=0.4uM,P12931,C-SRC TYROSINE KINASE,CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(C)=O,568.5840000000003,0.16520000000000268,191.06,19,39,2,9,0.17287526156616445
1a1c,2.4,1998,ACE-DIX,C,100-103,kd,=,0.4,uM,-6.3979400086720375,MOAD,Kd=0.4uM,"P12931,P12931","C-SRC TYROSINE KINASE,C-SRC TYROSINE KINASE",CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N(C)CCCC1CCCC1,552.5410000000003,-0.6149999999999967,191.06,15,38,2,9,0.26709594210893833
1a1c,2.4,1998,ACE-DIX,D,100-103,kd,=,0.4,uM,-6.3979400086720375,MOAD,Kd=0.4uM,P12931,C-SRC TYROSINE KINASE,CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N(C)CCCC1CCCC1,552.5410000000003,-0.6149999999999967,191.06,15,38,2,9,0.26709594210893833
1a1e,2.2,1998,ACE-DIY,C,100-103,kd,=,1.0,uM,-6.0,MOAD,Kd=1.0uM,"P12931,P12931","C-SRC TYROSINE KINASE,C-SRC TYROSINE KINASE",CCCC[C@@H]1CCCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc2ccc(OP(=O)([O-])[O-])cc2)NC(C)=O)C1,552.5410000000003,-0.6149999999999967,191.06,14,38,2,9,0.28331428832041733
1a1e,2.2,1998,ACE-DIY,D,100-103,kd,=,1.0,uM,-6.0,MOAD,Kd=1.0uM,P12931,C-SRC TYROSINE KINASE,CCCC[C@@H]1CCCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc2ccc(OP(=O)([O-])[O-])cc2)NC(C)=O)C1,552.5410000000003,-0.6149999999999967,191.06,14,38,2,9,0.28331428832041733
1a30,2.0,1998,GLU-LEU,C,506-508,ki,=,50.0,uM,-4.301029995663981,MOAD,Ki=50.0uM,"P04585,P04585","HIV-1 PROTEASE,HIV-1 PROTEASE",CC(C)C[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(=O)[O-],373.36200000000014,-5.9674,206.23,12,26,3,8,0.2991433666572374
1a7c,1.95,1999,ACE-NH2,B,900-906,kd,<,100.0,uM,-4.0,MOAD,Kd<100.0uM,P05121,PLASMINOGEN ACTIVATOR INHIBITOR TYPE 1,CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(N)=O)C(C)C)[C@@H](C)O,504.5410000000002,-5.043099999999999,249.27999999999997,14,35,9,9,0.10957263408359032
1a7c,1.95,1999,ACE-NH2,C,910-916,kd,<,100.0,uM,-4.0,MOAD,Kd<100.0uM,P05121,PLASMINOGEN ACTIVATOR INHIBITOR TYPE 1,CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(N)=O)C(C)C)[C@@H](C)O,504.5410000000002,-5.043099999999999,249.27999999999997,14,35,9,9,0.10957263408359032
1af6,2.4,1998,GLC-FRU,D,1-2,kd,=,15.0,mM,-1.8239087409443189,MOAD,Kd=15.0mM,"P02943,P02943","MALTOPORIN,MALTOPORIN",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,342.297,-5.395599999999992,189.52999999999997,5,23,8,11,0.2378914345193498
1af6,2.4,1998,GLC-FRU,E,1-2,kd,=,15.0,mM,-1.8239087409443189,MOAD,Kd=15.0mM,"P02943,P02943","MALTOPORIN,MALTOPORIN",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,342.297,-5.395599999999992,189.52999999999997,5,23,8,11,0.2378914345193498
1af6,2.4,1998,GLC-FRU,F,1-2,kd,=,15.0,mM,-1.8239087409443189,MOAD,Kd=15.0mM,"P02943,P02943","MALTOPORIN,MALTOPORIN",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,342.297,-5.395599999999992,189.52999999999997,5,23,8,11,0.2378914345193498
1anf,1.67,1997,GLC-GLC,B,1-2,ki,=,3.5,uM,-5.455931955649724,MOAD,Ki=3.5uM,P0AEX9,MALTODEXTRIN-BINDING PROTEIN,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1apu,1.8,1994,IVA-32L,I,4-1,ki,=,1.6,nM,-8.795880017344075,MOAD,Ki=1.6nM,P00798,PROTEIN (PENICILLOPEPSIN),CCOC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C,485.66600000000034,2.1591000000000014,133.83,15,34,4,6,0.26271588813398145
1aq7,2.2,1998,34H-AG2,B,1-4,ic50,=,0.9,uM,-6.045757490560675,MOAD,ic50=0.9uM,P00760,TRYPSIN,CC[C@@H](C)[C@@H](NC(=O)[C@H](O)Cc1ccc(O)cc1)C(=O)N1[C@H](C(=O)NCCCCNC(N)=[NH2+])C[C@@H]2CC[C@@H](OS(=O)(=O)[O-])C[C@@H]21,654.7869999999998,-1.9986999999999906,249.04,15,45,7,9,0.035818561382755104
1awf,2.2,1998,ASP-LEU,I,55-64,ki,=,0.97,uM,-6.013228265733755,MOAD,Ki=0.97uM,"P00734,P00734","ALPHA THROMBIN,ALPHA THROMBIN",CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1ccc(OS(=O)(=O)[O-])cc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-],1357.3689999999997,-11.106799999999966,587.9599999999998,42,95,9,25,0.022011219146820804
1awi,2.2,1998,PRO-PRO,P,1-10,kd,=,90.0,uM,-4.045757490560675,MOAD,Kd=90.0uM,"P07737,P07737","PROFILIN,PROFILIN",O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1,989.1849999999993,-2.6189000000000036,239.53000000000003,10,71,1,11,0.23791933581953428
1ax1,1.95,1998,BGC-GAL,C,1-2,kd,=,0.0005154639175257,M,-3.287801729930226,MOAD,Ka=1940.0M^-1,P16404,LECTIN,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1ax2,1.95,1998,NDG-GAL,C,1-2,kd,=,0.0001027749229188,M,-3.988112840268352,MOAD,Ka=9730.0M^-1,P16404,LECTIN,CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1O,383.35000000000014,-5.253399999999992,198.39999999999998,5,26,8,11,0.2255562159466081
1b05,2.0,1998,LYS-LYS,B,1-3,kd,=,75.0,nM,-7.1249387366083,MOAD,Kd=75.0nM,P06202,PERIPLASMIC OLIGOPEPTIDE-BINDING PROTEIN,[NH3+]CCCC[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-],379.52700000000027,-4.929399999999999,181.25,14,25,6,5,0.1306668856058656
1b0h,1.9,1998,LYS-LYS,B,601-603,kd,=,0.2,uM,-6.698970004336019,MOAD,Kd=0.2uM,P06202,PERIPLASMIC OLIGOPEPTIDE-BINDING PROTEIN,[NH3+]CCCC[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-],473.6180000000003,-2.4632999999999914,181.25,15,34,5,4,0.1799541310705859
1b1h,1.8,1998,LYS-LYS,B,1-3,kd,=,0.093,uM,-7.031517051446065,MOAD,Kd=0.093uM,P06202,PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN),[NH3+]CCCC[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-],437.58500000000026,-3.2263999999999937,181.25,16,31,5,4,0.17061725366267788
1b2h,1.9,1998,LYS-LYS,B,1-3,kd,=,29.0,uM,-4.537602002101044,MOAD,Kd=29.0uM,P06202,PERIPLASMIC OLIGOPEPTIDE-BINDING PROTEIN,[NH3+]CCCC[C@H](NC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-],391.5370000000002,-5.8371000000000075,208.89,16,27,6,4,0.1419102879031342
1b32,1.75,1998,LYS-LYS,B,1-3,kd,=,79.0,nM,-7.102372908709558,MOAD,Kd=79.0nM,P06202,PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN),CSCC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-],407.58100000000024,-4.1061,181.25,16,27,5,5,0.1626864502237999
1b3f,1.8,1998,LYS-LYS,B,1-3,kd,=,130.0,nM,-6.886056647693163,MOAD,Kd=130.0nM,P06202,PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN),[NH3+]CCCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-],413.52300000000025,-4.8934000000000015,209.93,15,29,6,5,0.15565128419579682
1b3g,2.0,1998,LYS-LYS,B,1-3,kd,=,200.0,nM,-6.698970004336019,MOAD,Kd=200.0nM,P06202,PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN),CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-],389.5410000000002,-3.8130999999999995,181.25,15,27,5,4,0.18008212296673481
1b3h,2.0,1998,LYS-LYS,B,1-3,kd,=,0.62,uM,-6.207608310501746,MOAD,Kd=0.62uM,P06202,PERIPLASMIC OLIGOPEPTIDE-BINDING PROTEIN,[NH3+]CCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-],429.60600000000034,-2.8887999999999963,181.25,15,30,5,4,0.175301588693247
1b3l,2.0,1998,LYS-LYS,B,1-3,kd,=,1300.0,nM,-5.886056647693163,MOAD,Kd=1300.0nM,P06202,PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN),[NH3+]CCCC[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-],333.4330000000002,-5.227800000000003,181.25,13,23,5,4,0.21123695765497882
1b3l,2.0,1998,LYS-LYS,D,1-3,kd,=,1300.0,nM,-5.886056647693163,MOAD,Kd=1300.0nM,P06202,PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN),[NH3+]CCCC[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-],333.4330000000002,-5.227800000000003,181.25,13,23,5,4,0.21123695765497882
1b46,1.8,1999,LYS-LYS,B,1-3,kd,=,5200.0,nM,-5.2839966563652006,MOAD,Kd=5200.0nM,P06202,PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN),[NH3+]CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-],373.4980000000002,-4.353,172.45999999999998,12,26,4,4,0.2532695221400433
1b4h,1.9,1998,LYS-LYS,B,1-3,kd,=,3.44,uM,-5.46344155742847,MOAD,Kd=3.44uM,P06202,PERIPLASMIC OLIGO-PEPTIDE BINDING PROTEIN,[NH3+]CCCC[C@H](NC(=O)[C@H](CC[NH3+])NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-],377.5100000000003,-6.227200000000008,208.89,15,26,6,4,0.15374308984813775
1b4z,1.75,1999,LYS-LYS,B,1-3,kd,=,5900.0,nM,-5.229147988357855,MOAD,Kd=5900.0nM,P06202,PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN),[NH3+]CCCC[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-],390.46100000000024,-6.719200000000008,221.38,15,27,5,6,0.17073592842718824
1b51,1.8,1999,LYS-LYS,B,1-3,kd,=,43.0,nM,-7.366531544420413,MOAD,Kd=43.0nM,P06202,PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN),[NH3+]CCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-],363.4590000000003,-5.866900000000003,201.47999999999996,14,25,6,5,0.16643968760464933
1b52,2.3,1999,LYS-LYS,B,1-3,kd,=,76.0,nM,-7.119186407719209,MOAD,Kd=76.0nM,P06202,PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN),C[C@@H](O)[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-],377.4860000000003,-5.478400000000002,201.47999999999996,14,26,6,5,0.16355232040684847
1b58,1.8,1999,LYS-LYS,B,1-3,kd,=,260.0,nM,-6.585026652029182,MOAD,Kd=260.0nM,P06202,PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN),[NH3+]CCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-],439.5570000000003,-3.9108999999999945,201.47999999999996,15,31,6,5,0.1512573192420734
1b5h,1.9,1998,LYS-LYS,B,1-3,kd,=,0.97,uM,-6.013228265733755,MOAD,Kd=0.97uM,P06202,OLIGO-PEPTIDE BINDING PROTEIN,[NH3+]CCCC[C@H](NC(=O)[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-],363.4830000000003,-6.617300000000006,208.89,14,25,6,4,0.16613091688146142
1b5i,1.9,1999,LYS-LYS,B,1-3,kd,=,90.0,nM,-7.045757490560675,MOAD,Kd=90.0nM,P06202,PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN),NC(=O)C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-],390.48500000000024,-5.983800000000005,224.33999999999997,15,27,6,5,0.14966205992547235
1b5j,1.8,1999,LYS-LYS,B,1-3,kd,=,37.0,nM,-7.431798275933005,MOAD,Kd=37.0nM,P06202,PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN),NC(=O)CC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-],404.5120000000002,-5.5937000000000054,224.33999999999997,16,28,6,5,0.13790750492806816
1b6h,1.8,1998,LYS-LYS,B,1-3,kd,=,0.015,uM,-7.823908740944319,MOAD,Kd=0.015uM,P06202,Periplasmic oligopeptide-binding protein,CCC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-],375.51400000000024,-4.0591,181.25,15,26,5,4,0.1826737083200987
1b7h,2.0,1998,LYS-LYS,B,1-3,kd,=,0.0095,uM,-8.022276394711152,MOAD,Kd=0.0095uM,P06202,Periplasmic oligopeptide-binding protein,CCCC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-],389.5410000000002,-3.6689999999999987,181.25,16,27,5,4,0.17060918354789756
1b9j,1.8,1999,LYS-LYS,B,1-3,kd,=,1100.0,nM,-5.958607314841775,MOAD,Kd=1100.0nM,P06202,PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN),CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-],389.5410000000002,-3.8130999999999995,181.25,15,27,5,4,0.18008212296673481
1bhf,1.8,1998,ACE-ILE,I,251-255,kd,=,42.0,uM,-4.376750709602099,MOAD,Kd=42.0uM,P06239,T-LYMPHOCYTE-SPECIFIC PROTEIN TYROSINE KINASE P56LCK,CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(CC(=O)[O-])cc1)NC(C)=O)C(=O)[O-],632.6230000000003,-5.663200000000007,276.91999999999996,20,45,4,12,0.10467463776745321
1bmb,1.8,1998,LYS-PHE,I,1-9,ic50,=,0.7,uM,-6.154901959985743,MOAD,ic50=0.7uM,P62993,PROTEIN (GROWTH FACTOR RECEPTOR BOUND PROTEIN 2),CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C(C)C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-],1220.285,-6.203300000000014,475.05999999999983,35,86,10,17,0.019348148250022915
1e4x,1.9,2001,VAL-ASP,P,1-7,kd,=,25.0,nM,-7.602059991327962,MOAD,Kd=25.0nM,P01837,TAB2,CC(C)[C@H]([NH3+])C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])C(C)C,815.8620000000001,-7.216200000000021,374.49999999999994,24,58,10,13,0.04715502307577104
1e4x,1.9,2001,VAL-ASP,Q,1-7,kd,=,25.0,nM,-7.602059991327962,MOAD,Kd=25.0nM,P01837,TAB2,CC(C)[C@H]([NH3+])C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])C(C)C,815.8620000000001,-7.216200000000021,374.49999999999994,24,58,10,13,0.04715502307577104
1elr,1.9,2000,ACE-ASP,B,0-5,kd,=,11.0,uM,-4.958607314841775,MOAD,Kd=11.0uM,P31948,TPR2A-DOMAIN OF HOP,CSCC[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])C(C)C,659.6710000000003,-7.210500000000017,306.02,22,45,5,14,0.0721299412194374
1elw,1.6,2000,GLY-ASP,C,5-12,kd,=,16.0,uM,-4.795880017344075,MOAD,Kd=16.0uM,P31948,TPR1-DOMAIN OF HOP,CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])[C@@H](C)O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])C(C)C,855.8760000000001,-9.838900000000015,403.2999999999999,26,60,8,16,0.04003855270826983
1elw,1.6,2000,GLY-ASP,D,5-12,kd,=,16.0,uM,-4.795880017344075,MOAD,Kd=16.0uM,"P31948,P31948","TPR1-DOMAIN OF HOP,TPR1-DOMAIN OF HOP",CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])[C@@H](C)O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])C(C)C,855.8760000000001,-9.838900000000015,403.29999999999995,26,60,8,16,0.04003855270826983
1f8a,1.84,2000,TYR-SER,C,170-176,kd,=,10.0,uM,-5.0,MOAD,Kd=10.0uM,Q13526,PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1,C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(=O)([O-])[O-])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](COP(=O)([O-])[O-])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)[O-],893.69,-9.720000000000018,430.32,21,60,8,19,0.0531201151085075
1fch,2.2,2000,TYR-LEU,C,1-5,kd,=,70.0,nM,-7.154901959985743,MOAD,Kd=70.0nM,P50542,PEROXISOMAL TARGETING SIGNAL 1 RECEPTOR,CC(C)C[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)[O-],638.7430000000003,-5.049600000000005,295.36,21,45,9,9,0.058131442038128665
1fch,2.2,2000,TYR-LEU,D,1-5,kd,=,70.0,nM,-7.154901959985743,MOAD,Kd=70.0nM,"P50542,P50542","PEROXISOMAL TARGETING SIGNAL 1 RECEPTOR,PEROXISOMAL TARGETING SIGNAL 1 RECEPTOR",CC(C)C[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)[O-],638.7430000000003,-5.049600000000005,295.35999999999996,21,45,9,9,0.058131442038128665
1fiv,2.0,1995,ACE-NH2,B,201-207,ki,=,260.0,nM,-6.585026652029182,MOAD,Ki=260.0nM,P16088,FIV PROTEASE,CC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)C(C)C,837.995,1.6906000000000043,248.95000000000002,22,61,7,9,0.06079503642280403
1fo0,2.5,2000,ILE-ILE,P,1-8,kd,=,2.6,uM,-5.585026652029182,MOAD,Kd=2.6uM,"P01887,P01901,P04214,Q5R1F1","PROTEIN (BETA-2 MICROGLOBULIN),PROTEIN (ALLOGENEIC H-2KB MHC CLASS I MOLECULE),PROTEIN (BM3.3 T CELL RECEPTOR BETA-CHAIN),PROTEIN (BM3.3 T CELL RECEPTOR ALPHA-CHAIN)",CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)[C@@H](C)O,982.0819999999999,-6.410400000000024,418.0099999999999,30,70,11,14,0.034711897955299484
1fyr,2.4,2000,ACE-VAL,I,-1-3,ic50,=,2.4,uM,-5.619788758288394,MOAD,ic50=2.4uM,"P62993,P62993,P62993","GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2,GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2,GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2",CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C,612.5530000000002,-3.6669999999999963,272.04,16,42,5,11,0.11345624992939975
1fyr,2.4,2000,ACE-VAL,J,-1-3,ic50,=,2.4,uM,-5.619788758288394,MOAD,ic50=2.4uM,"P62993,P62993,P62993","GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2,GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2,GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2",CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C,612.5530000000002,-3.6669999999999963,272.03999999999996,16,42,5,11,0.11345624992939975
1fyr,2.4,2000,ACE-VAL,K,-1-3,ic50,=,2.4,uM,-5.619788758288394,MOAD,ic50=2.4uM,"P62993,P62993","GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2,GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2",CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C,612.5530000000002,-3.6669999999999963,272.03999999999996,16,42,5,11,0.11345624992939975
1fyr,2.4,2000,ACE-VAL,L,-1-3,ic50,=,2.4,uM,-5.619788758288394,MOAD,ic50=2.4uM,"P62993,P62993","GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2,GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2",CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C,612.5530000000002,-3.6669999999999963,272.04,16,42,5,11,0.11345624992939975
1fzj,1.9,2001,ARG-LEU,P,1-8,kd,=,8.0,nM,-8.096910013008056,MOAD,Kd=8.0nM,"P01887,P01901","BETA-2-MICROGLOBULIN,H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, K-B ALPHA CHAIN",CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(C)C)C(=O)[O-],956.0919999999998,-6.68900000000003,418.65999999999985,29,68,14,12,0.020495705404221874
1fzk,1.7,2001,PHE-LEU,P,1-9,kd,=,4.0,nM,-8.397940008672037,MOAD,Kd=4.0nM,"P01887,P01901","PROTEIN (BETA-2-MICROGLOBULIN),H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, K-B ALPHA CHAIN",CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)[O-],949.0759999999999,-3.9787000000000106,346.30999999999995,23,68,9,12,0.05154157136612182
1fzm,1.8,2001,ARG-LEU,P,1-8,kd,=,20.0,nM,-7.698970004336019,MOAD,Kd=20.0nM,"P01887,P01901","PROTEIN (BETA-2-MICROGLOBULIN),H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, K-B ALPHA CHAIN",CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(C)C)C(=O)[O-],956.0919999999998,-6.68900000000003,418.65999999999985,29,68,14,12,0.020495705404221874
1fzo,1.8,2001,PHE-LEU,P,1-9,kd,=,13.0,nM,-7.886056647693163,MOAD,Kd=13.0nM,"P01887,P01901","PROTEIN (BETA-2-MICROGLOBULIN),H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, K-B ALPHA CHAIN",CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)[O-],949.0759999999999,-3.9787000000000106,346.30999999999995,23,68,9,12,0.05154157136612182
1g7p,1.5,2002,SER-MET,P,1-9,kd,=,90.0,nM,-7.045757490560675,MOAD,Kd=90.0nM,P01901,"H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, K-B ALPHA CHAIN",CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CO)[C@@H](C)O)C(=O)[O-],1087.2089999999994,-15.157099999999923,548.5599999999998,34,75,18,17,0.01730808918951155
1g7q,1.6,2002,SER-ALA,P,1-8,kd,=,877.0,nM,-6.057000406633959,MOAD,Kd=877.0nM,P01901,"H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, K-B ALPHA CHAIN",C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CO)[C@@H](C)O)C(=O)[O-],813.8669999999995,-11.250699999999995,398.1199999999999,21,57,11,13,0.029119704600207918
1gux,1.85,1998,ASP-ASN,E,1-9,kd,=,110.0,nM,-6.958607314841775,MOAD,Kd=110.0nM,P06400,RETINOBLASTOMA PROTEIN,CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CC(=O)[O-])C(=O)N[C@@H](CC(N)=O)C(=O)[O-],1158.2549999999999,-8.045200000000019,507.4699999999998,36,81,14,19,0.02818625698503662
1gwv,2.5,2003,BGC-GAL,C,1-2,kd,=,2.68,mM,-2.571865205971211,MOAD,Kd=2.68mM,P14769,"N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1gwv,2.5,2003,BGC-GAL,D,1-2,kd,=,2.68,mM,-2.571865205971211,MOAD,Kd=2.68mM,P14769,"N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1gz9,1.7,2002,BGC-FUC,B,1-3,kd,=,0.31,mM,-3.508638306165728,MOAD,Kd=0.31mM,P83410,ERYTHRINA CRISTA-GALLI LECTIN,C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,488.4390000000002,-6.545399999999988,248.44999999999993,6,33,10,15,0.16684349393830306
1gzc,1.58,2002,BGC-GAL,B,1-2,kd,=,0.32,mM,-3.494850021680094,MOAD,Kd=0.32mM,P83410,ERYTHRINA CRISTA-GALLI LECTIN,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1hef,2.2,1994,ALA-VME,I,201-211,ki,=,1.0,nM,-9.0,MOAD,Ki=1.0nM,P03366,HIV-1 PROTEASE,COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])C(C)C)C(C)C,668.8560000000001,0.9135000000000095,190.57,18,48,6,7,0.12729882841846296
1inq,2.2,2002,SER-LEU,C,2001-2009,ic50,=,539.0,nM,-6.268411234813261,MOAD,ic50=539.0nM,P01899,"H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, D-B ALPHA CHAIN",CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CO)C(C)C)C(C)C)C(C)C)C(=O)[O-],1009.1719999999998,-3.4724000000000137,377.04999999999995,28,72,13,13,0.03368508691057905
1jet,1.2,1997,LYS-LYS,B,1-3,kd,=,56.0,nM,-7.251811972993799,MOAD,Kd=56.0nM,P06202,OLIGO-PEPTIDE BINDING PROTEIN,C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-],347.46000000000026,-4.839300000000002,181.25,13,24,5,4,0.209590648475602
1jeu,1.25,1997,LYS-LYS,B,1-3,kd,=,150.0,nM,-6.823908740944319,MOAD,Kd=150.0nM,P06202,OLIGO-PEPTIDE BINDING PROTEIN,[NH3+]CCCC[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-],404.4880000000002,-6.329100000000007,221.38,16,28,5,6,0.1571846781283107
1jev,1.3,1997,LYS-LYS,B,1-3,kd,=,130.0,nM,-6.886056647693163,MOAD,Kd=130.0nM,P06202,OLIGO-PEPTIDE BINDING PROTEIN,[NH3+]CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-],462.5950000000003,-3.135199999999994,197.03999999999996,15,33,6,4,0.1521798689660026
1jq8,2.0,2002,LEU-SER,P,1-5,ki,=,1.01,uM,-5.995678626217358,MOAD,Ki=1.01uM,"P59071,P59071","Phospholipase A2,Phospholipase A2",CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)[O-],565.6680000000002,-2.6612999999999896,224.62999999999997,16,40,7,8,0.11166483668836998
1jq9,1.8,2002,PHE-LYS,P,1-5,kd,=,3.57,nM,-8.447331783887806,MOAD,Kd=3.57nM,"P59071,P59071","Phospholipase A2,Phospholipase A2",CC(C)C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-],657.789,-3.072399999999992,252.26999999999998,20,47,8,8,0.06767036820398074
1juf,2.0,2002,SER-LEU,C,2001-2009,ic50,=,1400.0,nM,-5.853871964321762,MOAD,ic50=1400.0nM,P01899,H2-Db major histocompatibility antigen,CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CO)C(C)C)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C)C,1023.1989999999998,-3.0823000000000143,377.04999999999995,29,73,13,13,0.032867015379932224
1jyq,2.0,2002,MAZ-ASN,H,200-203,kd,=,2.0,nM,-8.698970004336019,MOAD,Kd=2.0nM,P62993,GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2,C[C@@](Cc1ccc(OP(=O)([O-])[O-])cc1)(NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(=O)OCc1cccc(N)c1)C(=O)N[C@@H](CC(N)=O)C(=O)[O-],776.5650000000002,-3.2509999999999932,350.60999999999996,18,53,5,16,0.06253953875069687
1jyq,2.0,2002,MAZ-ASN,L,200-203,kd,=,2.0,nM,-8.698970004336019,MOAD,Kd=2.0nM,P62993,GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2,C[C@@](Cc1ccc(OP(=O)([O-])[O-])cc1)(NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(=O)OCc1cccc(N)c1)C(=O)N[C@@H](CC(N)=O)C(=O)[O-],776.5650000000002,-3.2509999999999932,350.60999999999996,18,53,5,16,0.06253953875069687
1jyr,1.55,2002,ALA-ASN,L,1000-1008,kd,=,18.0,nM,-7.744727494896693,MOAD,Kd=18.0nM,P62993,GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2,CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)[NH3+])C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)[O-],1069.0329999999997,-9.47789999999999,513.6999999999998,30,74,12,18,0.0318380082031502
1jzn,2.2,2003,BGC-GAL,F,1-2,ki,=,80.0,uM,-4.096910013008056,MOAD,Ki=80.0uM,"P21963,P21963","Galactose-specific lectin,Galactose-specific lectin",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1jzn,2.2,2003,BGC-GAL,G,1-2,ki,=,80.0,uM,-4.096910013008056,MOAD,Ki=80.0uM,"P21963,P21963","Galactose-specific lectin,Galactose-specific lectin",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1jzn,2.2,2003,BGC-GAL,H,1-2,ki,=,80.0,uM,-4.096910013008056,MOAD,Ki=80.0uM,P21963,Galactose-specific lectin,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1jzn,2.2,2003,BGC-GAL,I,1-2,ki,=,80.0,uM,-4.096910013008056,MOAD,Ki=80.0uM,"P21963,P21963","Galactose-specific lectin,Galactose-specific lectin",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1jzn,2.2,2003,BGC-GAL,J,1-2,ki,=,80.0,uM,-4.096910013008056,MOAD,Ki=80.0uM,"P21963,P21963","Galactose-specific lectin,Galactose-specific lectin",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1kc2,2.1,2002,PRO-ILE,B,302-309,kd,=,0.21,uM,-6.6777807052660805,MOAD,Kd=0.21uM,P00524,Src Tyrosine kinase,CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC[NH2+]1)[C@@H](C)CC)C(=O)[O-],1064.0529999999992,-7.770000000000024,447.41999999999985,31,74,8,18,0.03202390575684953
1kug,1.37,2002,PCA-TRP,B,251-253,ki,=,0.00016,M,-3.795880017344075,MOAD,Ki=0.00016M,O57413,metalloproteinase,NC(=O)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-],428.4250000000002,-2.4160999999999966,186.30999999999997,9,31,5,6,0.2956553729447817
1kui,1.5,2002,PCA-TRP,B,251-253,ki,=,0.169,mM,-3.772113295386327,MOAD,Ki=0.169mM,O57413,metalloproteinase,NC(=O)CC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-],442.45200000000017,-2.0259999999999962,186.30999999999997,10,32,5,6,0.28227311747821954
1kuk,1.45,2002,PCA-TRP,B,251-253,ki,=,0.124,mM,-3.906578314837765,MOAD,Ki=0.124mM,O57413,metalloproteinase,[NH3+]CCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-],443.50400000000013,-1.8792999999999955,170.86,11,32,5,5,0.2554999896599966
1lb6,1.8,2002,LYS-PHE,B,601-609,kd,=,84.0,uM,-4.075720713938118,MOAD,Kd=84.0uM,Q9Y4K3,TNF receptor-associated factor 6,CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-],1131.2079999999999,-10.836399999999973,525.9899999999998,38,80,11,18,0.02739645415049449
1leg,1.75,2002,GLU-VAL,P,1-8,kd,=,11.1,nM,-7.954677021213342,MOAD,Kd=11.1nM,"P01887,P01901","BETA-2-MICROGLOBULIN,H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, K-B ALPHA CHAIN",CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(=O)[O-],1063.1759999999997,-6.264200000000026,443.01999999999987,33,76,13,15,0.025255071361257906
1lk2,1.35,2003,GLY-LEU,P,1-8,ic50,=,12.0,uM,-4.920818753952375,MOAD,ic50=12.0uM,"P01887,P01901","Beta-2-microglobulin,H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, K-B ALPHA CHAIN",CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)C[NH3+])C(=O)[O-],934.017,-4.555200000000013,375.2499999999999,26,67,12,13,0.03614535586372496
1lkl,1.8,1996,ACE-GLY,B,251-255,kd,=,1540.0,nM,-5.8124792791635365,MOAD,Kd=1540.0nM,P06239,HUMAN P56 TYROSINE KINASE,CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)NCC(=O)[O-],613.4490000000003,-7.16280000000001,309.2099999999999,18,42,4,14,0.1118367585730274
1lyb,2.5,1994,IVA-STA,I,1-6,ki,=,3.8,pM,-11.42021640338319,MOAD,Ki=3.8pM,"P07339,P07339","CATHEPSIN D,CATHEPSIN D",CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)[O-])C(C)C)C(C)C,684.8960000000002,0.13250000000000856,226.09,22,48,7,9,0.0821679303830404
1lyb,2.5,1994,IVA-STA,J,1-6,ki,=,3.8,pM,-11.42021640338319,MOAD,Ki=3.8pM,"P07339,P07339","CATHEPSIN D,CATHEPSIN D",CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)[O-])C(C)C)C(C)C,684.8960000000002,0.13250000000000856,226.09,22,48,7,9,0.0821679303830404
1m21,1.8,2002,PHE-PHA,C,1-4,ki,<,0.3,uM,-6.522878745280337,MOAD,Ki<0.3uM,Q8RJN5,Peptide Amidase,CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])[C@@H]1CCNC(=[NH2+])N1)C(=O)N[C@H](C=O)Cc1ccccc1,607.7120000000001,-2.4606999999999966,206.17999999999998,15,44,7,6,0.1078752129224173
1m21,1.8,2002,PHE-PHA,D,1-4,ki,<,0.3,uM,-6.522878745280337,MOAD,Ki<0.3uM,Q8RJN5,Peptide Amidase,CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])[C@@H]1CCNC(=[NH2+])N1)C(=O)N[C@H](C=O)Cc1ccccc1,607.7120000000001,-2.4606999999999966,206.17999999999998,15,44,7,6,0.1078752129224173
1mfg,1.25,2003,GLU-VAL,B,1247-1255,kd,~,50.0,uM,-4.301029995663981,MOAD,Kd~50.0uM,Q96RT1,Erb-B2 INTERACTING PROTEIN,CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C,1002.1329999999997,-5.614600000000019,392.26999999999987,29,71,9,15,0.036142962069683406
1mi5,2.5,2003,PHE-LEU,C,1-9,kd,~,10.0,uM,-5.0,MOAD,Kd~10.0uM,"P01848,P01850,P61769,P01889","TcR alpha chain,TcR beta chain,beta 2 microglobulin,MHC heavy chain",CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)[O-],1054.2649999999994,-8.32169999999999,448.07999999999987,33,75,16,11,0.017939723819000202
1n51,2.3,2003,01B-NH2,B,1-5,ki,=,14.0,uM,-4.853871964321762,MOAD,Ki=14.0uM,P15034,Xaa-Pro aminopeptidase,C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H]([NH3+])Cc1ccccc1)C(N)=O,460.55500000000035,-1.8274999999999917,160.68,8,33,4,5,0.35842093296823513
1nh0,1.03,2004,KI2-NH2,I,1-5,ki,=,0.18,nM,-9.744727494896694,MOAD,Ki=0.18nM,"P03367,P03367","PROTEASE RETROPEPSIN,PROTEASE RETROPEPSIN",NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,731.7589999999998,-1.8723999999999918,269.21,21,53,6,11,0.07064049274517428
1nh0,1.03,2004,KI2-NH2,J,1-5,ki,=,0.18,nM,-9.744727494896694,MOAD,Ki=0.18nM,"P03367,P03367","PROTEASE RETROPEPSIN,PROTEASE RETROPEPSIN",NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,731.7589999999998,-1.8723999999999918,269.21,21,53,6,11,0.07064049274517428
1nl5,2.1,2003,GLC-GLC,B,1-2,kd,=,6.0,nM,-8.221848749616356,MOAD,Kd=6.0nM,P0AEX9,Maltose-binding periplasmic protein,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1npl,2.0,1998,MAN-MAN,B,1-2,kd,=,2.0,mM,-2.6989700043360187,MOAD,Kd=2.0mM,C0HM45,PROTEIN (AGGLUTININ),OC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H](CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1npl,2.0,1998,MAN-MAN,C,1-2,kd,=,2.0,mM,-2.6989700043360187,MOAD,Kd=2.0mM,C0HM45,PROTEIN (AGGLUTININ),OC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H](CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1npl,2.0,1998,MAN-MAN,D,1-2,kd,=,2.0,mM,-2.6989700043360187,MOAD,Kd=2.0mM,C0HM45,PROTEIN (AGGLUTININ),OC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H](CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1npl,2.0,1998,MAN-MAN,E,1-2,kd,=,2.0,mM,-2.6989700043360187,MOAD,Kd=2.0mM,C0HM45,PROTEIN (AGGLUTININ),OC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H](CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1nzl,1.9,2003,PRO-ALA,C,498-505,kd,=,0.07,uM,-7.154901959985743,MOAD,Kd=0.07uM,P00524,Tyrosine-protein kinase transforming protein SRC,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC[NH2+]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)[O-],1135.004,-7.876100000000029,479.70999999999987,30,78,8,20,0.03368631091064231
1nzv,2.1,2003,PRO-ALA,C,498-505,kd,=,0.4,uM,-6.3979400086720375,MOAD,Kd=0.4uM,P00524,Tyrosine-protein kinase transforming protein SRC,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC[NH2+]1)C(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)[O-])C(C)C,1106.0299999999997,-5.7502000000000235,439.5799999999999,28,76,8,18,0.03681227272084824
1o7o,1.97,2003,BGC-GAL,C,1-2,kd,=,2.69,mM,-2.570247719997592,MOAD,Kd=2.69mM,P14769,"N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1o7o,1.97,2003,BGC-GAL,D,1-2,kd,=,2.69,mM,-2.570247719997592,MOAD,Kd=2.69mM,P14769,"N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYLTRANSFERASE",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1o9d,2.3,2003,GLN-VAL,P,1-5,kd,=,2.5,uM,-5.6020599913279625,MOAD,Kd=2.5uM,P93343,14-3-3-LIKE PROTEIN C,CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CCC(N)=O)[C@@H](C)OP(=O)([O-])[O-])C(=O)[O-],674.6010000000002,-6.618100000000005,340.13999999999993,19,46,8,13,0.06335418318172097
1o9f,2.7,2003,GLN-VAL,P,1-5,kd,=,0.7,uM,-6.154901959985743,BioLiP,Kd=0.7uM (12606564),P93343,14-3-3-LIKE PROTEIN C,CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CCC(N)=O)[C@@H](C)OP(=O)([O-])[O-])C(=O)[O-],674.6010000000002,-6.618100000000005,340.13999999999993,19,46,8,13,0.06335418318172097
1okv,2.4,2003,ARG-NH2,E,30-35,ic50,=,0.68,uM,-6.167491087293763,MOAD,ic50=0.68uM,P20248,CYCLIN A2,CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O,705.93,-5.756500000000019,314.40999999999997,23,50,12,5,0.029277455471515345
1okv,2.4,2003,ARG-NH2,F,30-35,ic50,=,0.68,uM,-6.167491087293763,MOAD,ic50=0.68uM,P20248,CYCLIN A2,CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O,705.93,-5.756500000000019,314.40999999999997,23,50,12,5,0.029277455471515345
1okw,2.5,2003,ACE-NH2,E,501-507,ic50,=,5.6,uM,-5.251811972993799,MOAD,ic50=5.6uM,P20248,CYCLIN A2,CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(N)=O,782.348,-6.37960000000002,358.9599999999999,24,54,13,7,0.02657085784902017
1okw,2.5,2003,ACE-NH2,F,501-507,ic50,=,5.6,uM,-5.251811972993799,MOAD,ic50=5.6uM,P20248,CYCLIN A2,CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(N)=O,782.348,-6.379600000000022,358.9599999999999,24,54,13,7,0.02657085784902017
1olc,2.1,1996,LYS-ALA,B,1-4,kd,=,2.7,uM,-5.568636235841012,MOAD,Kd=2.7uM,P06202,OLIGO-PEPTIDE BINDING PROTEIN,C[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-],476.64300000000026,-5.942300000000012,237.98999999999998,19,33,7,5,0.08982227079436304
1pip,1.7,1993,ZKO-NIT,B,400-219,ki,<,10.0,uM,-5.0,MOAD,Ki<10.0uM,P00784,Papain,CC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CCC(=O)[O-])C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C,705.7460000000001,-1.8952999999999947,300.9599999999999,20,50,7,11,0.05807512326723276
1pz5,1.8,2003,MET-ALA,C,1-8,kd,=,4.0,uM,-5.3979400086720375,MOAD,Kd=4.0uM,"P01801,A2NHM3","Heavy chain of Fab (SYA/J6),Light chain of Fab (SYA/J6)",CSCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]([NH3+])CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-],974.1129999999997,-6.008400000000019,399.1599999999999,29,67,11,15,0.030857642304577534
1q6c,1.86,2004,GLC-GLC,B,1-2,kd,=,5.1,mM,-2.292429823902064,MOAD,Kd=5.1mM,P10538,beta-amylase,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1q6c,1.86,2004,GLC-GLC,C,1-2,kd,=,5.1,mM,-2.292429823902064,MOAD,Kd=5.1mM,P10538,beta-amylase,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1q6d,2.0,2004,GLC-GLC,B,1-2,kd,=,0.46,mM,-3.3372421683184257,MOAD,Kd=0.46mM,P10538,beta-amylase,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1q6d,2.0,2004,BGC-GLC,C,1-2,kd,=,0.46,mM,-3.3372421683184257,MOAD,Kd=0.46mM,P10538,beta-amylase,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1q6e,1.95,2004,GLC-GLC,B,1-2,kd,=,2.4,mM,-2.619788758288394,MOAD,Kd=2.4mM,P10538,beta-amylase,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1q6e,1.95,2004,BGC-GLC,C,1-2,kd,=,2.4,mM,-2.619788758288394,MOAD,Kd=2.4mM,P10538,beta-amylase,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1q6g,2.0,2004,GLC-GLC,B,1-2,kd,=,8.8,mM,-2.0555173278498318,MOAD,Kd=8.8mM,P10538,beta-amylase,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1q6g,2.0,2004,BGC-GLC,C,1-2,kd,=,8.8,mM,-2.0555173278498318,MOAD,Kd=8.8mM,P10538,beta-amylase,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1qj1,2.0,2000,ASP-LEU,I,55-64,ic50,=,9.0,nM,-8.045757490560675,MOAD,ic50=9.0nM,"P00734,P00734","THROMBIN,THROMBIN",CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1ccc(OS(=O)(=O)[O-])cc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-],1357.3689999999997,-11.106799999999966,587.9599999999998,42,95,9,25,0.022011219146820804
1qka,1.8,1999,LYS-LYS,B,1-3,kd,=,1200.0,nM,-5.920818753952375,MOAD,Kd=1200.0nM,P06202,PERIPLASMIC OLIGOPEPTIDE-BINDING PROTEIN,NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-],433.5780000000003,-7.4156000000000155,244.89,17,30,8,4,0.06278064949907011
1qkb,1.8,1999,LYS-LYS,B,1-3,kd,=,45.0,nM,-7.346787486224656,MOAD,Kd=45.0nM,P06202,PERIPLASMIC OLIGOPEPTIDE-BINDING PROTEIN,CC(C)[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-],375.5140000000003,-4.203200000000002,181.25,14,26,5,4,0.19307346372814405
1qr3,1.6,2000,ALQ-VAL,I,1-8,ic50,=,0.26,uM,-6.585026652029182,MOAD,ic50=0.26uM,P00772,Chymotrypsin-like elastase family member 1,C/C=C1\NC(=O)[C@H]2NC(=O)[C@@H](NC(=O)C(C)C)CCCNC(=O)Nc3cc(O)c(O)cc3C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]2C)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC1=O,962.0709999999999,0.15120000000001332,314.23999999999995,5,69,10,13,0.08276016046761477
1rst,1.7,1997,ALA-GLY,P,1-9,kd,=,37.0,uM,-4.431798275933005,MOAD,Kd=37.0uM,P22629,STREPTAVIDIN,C[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)[O-],1056.1759999999995,-7.344300000000022,442.97999999999985,29,76,14,12,0.013661800509110198
1rzx,2.1,2004,ACE-VAL,B,1-7,kd,=,80.0,uM,-4.096910013008056,MOAD,Kd=80.0uM,O97111,CG5884-PA,CC(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C,714.8380000000001,-5.042300000000011,302.72999999999996,24,50,8,11,0.04377427505083878
1s3k,1.9,2004,NDG-FUC,A,1-4,kd,=,0.24,uM,-6.619788758288394,MOAD,Kd=0.24uM,,,CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O,675.6340000000005,-7.549799999999994,316.24,9,46,12,19,0.10793909747468096
1s5p,1.96,2004,LYS-ARG,B,12-19,kd,=,0.44,uM,-6.356547323513812,MOAD,Kd=0.44uM,P75960,NAD-dependent deacetylase,CC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-],954.1289999999993,-12.405299999999936,484.1699999999998,34,67,17,11,0.0173323145861472
1tze,2.1,1997,LYS-NH2,I,1-8,ic50,=,0.148,uM,-6.8297382846050425,MOAD,ic50=0.148uM,P62993,GROWTH FACTOR RECEPTOR-BOUND PROTEIN 2,CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+])C(C)C)C(N)=O,945.025,-4.21030000000001,379.6899999999999,26,66,9,12,0.032035015634372804
1u9l,1.9,2004,ASN-LEU,C,34-40,kd,=,3.55,uM,-5.449771646944906,MOAD,Kd=3.55uM,"P0AFF6,P0AFF6","Transcription elongation protein nusA,Transcription elongation protein nusA",CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)[O-],812.9910000000001,-6.788600000000018,360.53999999999996,25,57,11,10,0.023289294032718278
1uoo,2.35,2003,GLY-PRO,B,723-726,kd,=,0.29,uM,-6.537602002101044,MOAD,Kd=0.29uM,P23687,PROLYL ENDOPEPTIDASE,NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH3+])C(=O)N1CCC[C@H]1C(=O)[O-],476.55800000000045,-5.374900000000003,209.92000000000002,12,34,6,5,0.09781801207664764
1urg,1.8,2003,GLC-GLC,B,1-2,kd,=,1.5,uM,-5.823908740944319,MOAD,Kd=1.5uM,Q9RHZ6,MALTOSE-BINDING PROTEIN,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1vwf,1.92,1998,ACE-NH2,P,0-9,kd,=,2200.0,nM,-5.657577319177793,MOAD,Kd=2200.0nM,P22629,STREPTAVIDIN,CC(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(N)=O,879.0359999999996,-4.389100000000004,321.28999999999996,20,60,10,13,0.055814547836724016
1w6o,1.9,2004,BGC-GAL,C,1-2,kd,=,0.0004545454545454,M,-3.342422680822206,MOAD,Ka=2200.0M^-1,P09382,GALECTIN-1,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1w6o,1.9,2004,BGC-GAL,D,1-2,kd,=,0.0004545454545454,M,-3.342422680822206,MOAD,Ka=2200.0M^-1,P09382,GALECTIN-1,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1w72,2.15,2004,GLU-TYR,C,1-9,kd,=,14.0,nM,-7.853871964321762,MOAD,Kd=14.0nM,"P61769,P04439","BETA-2-MICROGLOBULIN,HLA CLASS I HISTOCOMPATIBILITY ANTIGEN",C[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])[C@@H](C)O,973.951,-10.660000000000014,461.4099999999999,27,69,12,18,0.03954263581698395
1w72,2.15,2004,GLU-TYR,F,1-9,kd,=,14.0,nM,-7.853871964321762,MOAD,Kd=14.0nM,"P04439,P61769","HLA CLASS I HISTOCOMPATIBILITY ANTIGEN,BETA-2-MICROGLOBULIN",C[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])[C@@H](C)O,973.951,-10.660000000000014,461.4099999999999,27,69,12,18,0.03954263581698395
1w9u,1.85,2004,0AR-UN1,C,1434-1438,kd,=,0.81,uM,-6.091514981121351,MOAD,Kd=0.81uM,Q873X9,CHITINASE,CC(=O)NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](CCCC(=O)[O-])NC(=O)[C@H](Cc2c[nH]cn2)N2C(=O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O,672.7000000000002,-5.920100000000009,280.52,10,48,7,10,0.053172290845260414
1w9u,1.85,2004,0AR-UN1,D,1434-1438,kd,=,0.81,uM,-6.091514981121351,MOAD,Kd=0.81uM,Q873X9,CHITINASE,CC(=O)NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](CCCC(=O)[O-])NC(=O)[C@H](Cc2c[nH]cn2)N2C(=O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O,672.7000000000002,-5.920100000000009,280.52,10,48,7,10,0.053172290845260414
1w9v,2.0,2005,VR0-DAL,C,1434-1438,kd,=,0.46,uM,-6.337242168318426,MOAD,Kd=0.46uM,E9QRF2,CHITINASE,CNC(=O)NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@@H](C(=O)[O-])NC(=O)C[C@@H](C(=O)[O-])NC(=O)[C@H](Cc2ccccc2)N(C)C1=O,674.6920000000002,-7.27730000000001,295.7199999999999,8,48,8,10,0.07277937204496873
1w9v,2.0,2005,VR0-DAL,D,1434-1438,kd,=,0.46,uM,-6.337242168318426,MOAD,Kd=0.46uM,E9QRF2,CHITINASE,CNC(=O)NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@@H](C(=O)[O-])NC(=O)C[C@@H](C(=O)[O-])NC(=O)[C@H](Cc2ccccc2)N(C)C1=O,674.6920000000002,-7.27730000000001,295.7199999999999,8,48,8,10,0.07277937204496873
1waw,1.75,2005,0AR-UN1,B,1392-1396,ic50,=,0.013,uM,-7.886056647693163,MOAD,ic50=0.013uM,Q13231,CHITOTRIOSIDASE 1,CC(=O)NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](CCCC(=O)[O-])NC(=O)[C@H](Cc2c[nH]cn2)N2C(=O)C[C@H](NC(=O)[C@H]3CCCN3C1=O)C2=O,672.7000000000002,-5.920100000000009,280.52,10,48,7,10,0.053172290845260414
1wb0,1.65,2005,VR0-DAL,B,1388-1392,ic50,=,4.5,uM,-5.346787486224656,MOAD,ic50=4.5uM,Q13231,CHITOTRIOSIDASE 1,CNC(=O)NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@@H](C(=O)[O-])NC(=O)C[C@@H](C(=O)[O-])NC(=O)[C@H](Cc2ccccc2)N(C)C1=O,674.6920000000002,-7.27730000000001,295.7199999999999,8,48,8,10,0.07277937204496873
1wdq,1.28,2005,GLC-GLC,B,1-2,kd,=,10.45,mM,-1.9808837095529277,MOAD,Kd=10.45mM,P10538,Beta-amylase,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1wdq,1.28,2005,GLC-GLC,C,1-2,kd,=,10.45,mM,-1.9808837095529277,MOAD,Kd=10.45mM,P10538,Beta-amylase,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1x2r,1.7,2006,LEU-LEU,B,76-84,kd,=,1.8148820326678765e-07,M,-6.741151598851785,MOAD,Ka=5510000.0M^-1,Q9Z2X8,Kelch-like ECH-associated protein 1,CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)[O-])NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]([NH3+])CC(C)C)[C@@H](C)O)C(=O)[O-],1048.07,-10.697399999999991,481.3199999999998,35,74,10,19,0.030172060694253596
1x9d,1.41,2005,Z5L-MAN,B,1-2,kd,=,110.0,uM,-3.958607314841775,MOAD,Kd=110.0uM,Q9UKM7,"Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase",CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1S[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,372.3920000000001,-4.026499999999998,169.29999999999998,5,24,7,11,0.250759775697843
1y2a,2.2,2005,GLY-ILE,P,1-10,kd,~,45.8,nM,-7.339134521996131,MOAD,Kd~45.8nM,P52293,Importin alpha-2 Subunit,CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)C[NH3+])[C@@H](C)CC)[C@@H](C)O)C(=O)[O-],1128.3439999999998,-7.047700000000011,469.87999999999994,37,80,16,14,0.02388780511459403
1ym4,2.25,2006,GLU-ALA,X,1-5,ic50,=,0.039,uM,-7.4089353929735005,MOAD,ic50=0.039uM,"P56817,P56817","Beta-secretase 1,Beta-secretase 1",CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C)[C@@H](O)[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)[O-],641.7430000000004,-4.809300000000005,287.62,19,45,7,10,0.07059647118996489
1ym4,2.25,2006,GLU-ALA,Y,1-5,ic50,=,0.039,uM,-7.4089353929735005,MOAD,ic50=0.039uM,P56817,Beta-secretase 1,CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C)[C@@H](O)[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)[O-],641.7430000000004,-4.809300000000005,287.61999999999995,19,45,7,10,0.07059647118996489
1ym4,2.25,2006,GLU-ALA,Z,1-5,ic50,=,0.039,uM,-7.4089353929735005,MOAD,ic50=0.039uM,"P56817,P56817","Beta-secretase 1,Beta-secretase 1",CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C)[C@@H](O)[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)C(=O)[O-],641.7430000000004,-4.809300000000005,287.62,19,45,7,10,0.07059647118996489
1ywo,1.81,2005,GLN-MET,P,1-10,kd,=,12.5,uM,-4.903089986991944,MOAD,Kd=12.5uM,P10686,"1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase gamma 1",CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCC(N)=O)C(C)C)C(=O)[O-],1147.3919999999991,-7.37529999999999,435.53999999999985,28,80,10,14,0.01976797845167196
1z3t,1.7,2005,BGC-BGC,B,1-2,kd,=,115.0,uM,-3.939302159646388,MOAD,Kd=115.0uM,Q7LIJ0,cellulase,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.297,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1z3v,1.61,2005,BGC-GAL,B,1-2,kd,=,77.0,uM,-4.113509274827518,MOAD,Kd=77.0uM,Q7LIJ0,cellulase,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
1zea,1.78,2006,DVA-DSN,A,1-9,kd,=,6.0,uM,-5.221848749616356,MOAD,Kd=6.0uM,"A2NHM3,Q921A6","monoclonal anti-cholera toxin IGG1 KAPPA antibody, L chain,monoclonal anti-cholera toxin IGG1 KAPPA antibody, H chain",CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CC(=O)[O-])C(=O)N[C@H](CO)C(=O)[O-],988.002,-9.677000000000021,464.36999999999995,28,70,13,17,0.03764648498860437
2add,2.5,2006,GLC-FRU,D,1-2,ki,=,3.5,mM,-2.4559319556497243,MOAD,Ki=3.5mM,Q93X60,fructan 1-exohydrolase IIa,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,342.297,-5.395599999999992,189.52999999999997,5,23,8,11,0.2378914345193498
2ast,2.3,2005,ALA-LYS,D,4181-4190,kd,=,7.0,uM,-5.154901959985743,MOAD,Kd=7.0uM,"P61024,Q13309","Cyclin-dependent kinases regulatory subunit 1,S-phase kinase-associated protein 2",CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-])[C@@H](C)OP(=O)([O-])[O-],1123.1459999999997,-12.630399999999936,552.0299999999999,37,77,13,19,0.020290171477419554
2axi,1.4,2006,PRO-DPR,B,20-29,ic50,=,140.0,nM,-6.853871964321762,MOAD,ic50=140.0nM,Q00987,Ubiquitin-protein ligase E3 Mdm2,CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3cc(Cl)ccc23)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)[O-])NC1=O,1378.9150000000004,-1.3065000000000118,425.3899999999999,18,99,10,16,0.04778191307044377
2b1q,2.2,2006,GLC-GLC,B,1-2,ki,=,26.0,mM,-1.585026652029182,MOAD,Ki=26.0mM,P74325,hypothetical protein slr0953,OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2b1r,2.2,2006,BGC-BGC,B,1-2,ki,=,101.0,mM,-0.9956786262173574,MOAD,Ki=101.0mM,P74325,hypothetical protein slr0953,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.297,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2bnq,1.7,2005,SER-VAL,C,1-9,kd,=,5.0,uM,-5.301029995663981,MOAD,Kd=5.0uM,P04439,HLA CLASS I HISTOCOMPATIBILITY ANTIGEN,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)[O-])C(C)C)[C@@H](C)O,1090.3559999999995,-2.864800000000013,399.90999999999985,34,76,13,14,0.03355085201076571
2bnr,1.9,2005,SER-CYS,C,1-9,kd,=,13.3,uM,-4.876148359032914,MOAD,Kd=13.3uM,P04439,HLA CLASS I HISTOCOMPATIBILITY ANTIGEN,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)[O-])[C@@H](C)O,1094.369,-3.591000000000013,399.90999999999985,34,75,14,15,0.03016413145771345
2bqz,1.5,2005,ARG-TYR,B,17-26,kd,=,20.0,uM,-4.698970004336019,MOAD,Kd=20.0uM,Q9NQR1,SET8 PROTEIN,C[NH2+]CCCC[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])C(C)C,1373.6109999999999,-15.964099999999878,669.3299999999998,47,97,23,16,0.01661973818197006
2bqz,1.5,2005,ARG-TYR,F,17-26,kd,=,20.0,uM,-4.698970004336019,MOAD,Kd=20.0uM,Q9NQR1,SET8 PROTEIN,C[NH2+]CCCC[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])C(C)C,1373.6109999999999,-15.964099999999878,669.3299999999998,47,97,23,16,0.01661973818197006
2bs5,2.1,2005,BGC-FUC,B,1-3,kd,=,250.0,nM,-6.6020599913279625,MOAD,Kd=250.0nM,A0A0S4TLR1,FUCOSE-BINDING LECTIN PROTEIN,C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,488.4390000000002,-6.545399999999988,248.44999999999993,6,33,10,15,0.16684349393830306
2bs5,2.1,2005,BGC-FUC,C,1-3,kd,=,250.0,nM,-6.6020599913279625,MOAD,Kd=250.0nM,A0A0S4TLR1,FUCOSE-BINDING LECTIN PROTEIN,C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,488.4390000000002,-6.545399999999988,248.44999999999993,6,33,10,15,0.16684349393830306
2cv3,1.9,2006,THR-ASP,B,256-266,ic50,=,0.27,uM,-6.568636235841012,MOAD,ic50=0.27uM,P00772,Elastase 1,CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])[C@@H](C)O)[C@@H](C)OC(=O)C[C@@H]2NC(=O)[C@@H]3COC(=O)C[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC2=O)C(=O)N[C@H](C(=O)[O-])CC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N3,1270.365,-5.932900000000027,467.6999999999999,10,91,13,18,0.08408576766138547
2d2v,2.5,2006,GLC-GLC,B,1-2,ki,=,100.0,mM,-1.0,MOAD,Ki=100.0mM,P74325,hypothetical protein slr0953,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2er6,2.0,1991,PRO-GLU,I,1-6,ki,=,60.0,nM,-7.221848749616356,MOAD,Ki=60.0nM,P11838,ENDOTHIAPEPSIN,C[C@@H](O)[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@H](C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])Cc1ccccc1,911.0269999999997,-9.811900000000003,382.9799999999999,29,65,11,12,0.020528733153700934
2er7,1.6,1991,BOC-HIS,I,1-8,ic50,=,0.7,nM,-9.154901959985745,MOAD,ic50=0.7nM,P11838,ENDOTHIAPEPSIN,CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-],1099.325,1.3001000000000027,350.5399999999999,29,79,10,14,0.03667127143544608
2f5t,1.45,2006,GLC-GLC,A,1-2,kd,=,6.8,uM,-5.167491087293763,MOAD,Kd=6.8uM,Q7LYW4,archaeal transcriptional regulator TrmB,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2gv2,1.8,2006,ACE-LEU,B,1-9,ic50,=,5.0,nM,-8.301029995663981,MOAD,ic50=5.0nM,Q00987,E3 ubiquitin-protein ligase Mdm2,CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(CP(=O)([O-])[O-])cc1)C(=O)N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)N[C@@H](CCC(=O)[O-])C(=O)NC1(C(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1,1206.7099999999998,-1.1856000000000007,392.0399999999999,32,83,9,16,0.025981423872406175
2h6t,1.9,2007,IVA-STA,B,1-6,ki,=,60.0,nM,-7.221848749616356,MOAD,Ki=60.0nM,P0CY29,Candidapepsin-3,CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)[O-])C(C)C)C(C)C,684.8960000000002,0.13250000000000856,226.09,22,48,7,9,0.0821679303830404
2hn7,1.6,2006,ALA-LYS,C,1-10,ic50,=,31.0,nM,-7.508638306165727,MOAD,ic50=31.0nM,"P61769,P04439","Beta-2-microglobulin,HLA class I histocompatibility antigen, A-11 alpha chain",CC[C@H](C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-],1195.5,-5.391800000000022,423.5999999999999,34,84,13,13,0.017681043899415477
2hyq,2.0,2007,MAN-MAN,C,1-2,kd,=,88.3,uM,-4.054039296422431,MOAD,Kd=88.3uM,"P84801,P84801","Griffithsin,Griffithsin",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2hyq,2.0,2007,MAN-MAN,D,1-2,kd,=,88.3,uM,-4.054039296422431,MOAD,Kd=88.3uM,P84801,Griffithsin,OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2hyq,2.0,2007,MAN-MAN,E,1-2,kd,=,88.3,uM,-4.054039296422431,MOAD,Kd=88.3uM,"P84801,P84801","Griffithsin,Griffithsin",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2hyq,2.0,2007,MAN-MAN,F,1-2,kd,=,88.3,uM,-4.054039296422431,MOAD,Kd=88.3uM,"P84801,P84801","Griffithsin,Griffithsin",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2hyq,2.0,2007,MAN-MAN,G,1-2,kd,=,88.3,uM,-4.054039296422431,MOAD,Kd=88.3uM,P84801,Griffithsin,OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2hyq,2.0,2007,MAN-MAN,H,1-2,kd,=,88.3,uM,-4.054039296422431,MOAD,Kd=88.3uM,"P84801,P84801","Griffithsin,Griffithsin",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2hyr,1.51,2007,BGC-GLC,C,1-2,kd,=,394.0,uM,-3.404503778174426,MOAD,Kd=394.0uM,"P84801,P84801","Griffithsin,Griffithsin",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2hyr,1.51,2007,BGC-GLC,D,1-2,kd,=,394.0,uM,-3.404503778174426,MOAD,Kd=394.0uM,P84801,Griffithsin,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2hyr,1.51,2007,BGC-GLC,E,1-2,kd,=,394.0,uM,-3.404503778174426,MOAD,Kd=394.0uM,"P84801,P84801","Griffithsin,Griffithsin",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2hyr,1.51,2007,BGC-GLC,F,1-2,kd,=,394.0,uM,-3.404503778174426,MOAD,Kd=394.0uM,"P84801,P84801","Griffithsin,Griffithsin",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2hyr,1.51,2007,BGC-GLC,G,1-2,kd,=,394.0,uM,-3.404503778174426,MOAD,Kd=394.0uM,P84801,Griffithsin,OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2hyr,1.51,2007,BGC-GLC,H,1-2,kd,=,394.0,uM,-3.404503778174426,MOAD,Kd=394.0uM,"P84801,P84801","Griffithsin,Griffithsin",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2i3h,1.62,2006,ALA-TRP,C,1-4,ki,=,0.04,uM,-7.397940008672037,MOAD,Ki=0.04uM,Q96CA5,Baculoviral IAP repeat-containing protein 7,CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-],471.55800000000016,-1.292699999999994,162.07,9,34,4,5,0.35702305750591007
2i3h,1.62,2006,ALA-TRP,D,1-4,ki,=,0.04,uM,-7.397940008672037,MOAD,Ki=0.04uM,"Q96CA5,Q96CA5","Baculoviral IAP repeat-containing protein 7,Baculoviral IAP repeat-containing protein 7",CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-],471.55800000000016,-1.292699999999994,162.07,9,34,4,5,0.35702305750591007
2j1e,2.4,2006,NDG-GAL,B,1-2,kd,=,0.009009009009009,M,-2.0453229787866576,MOAD,Ka=111.0M^-1,Q0TR53,HYALURONIDASE,CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1O,383.35000000000014,-5.253399999999992,198.39999999999998,5,26,8,11,0.2255562159466081
2j7m,2.3,2006,NDG-FUC,B,1-3,kd,=,0.0008333333333333,M,-3.0791812460476247,MOAD,Ka=1200.0M^-1,Q0TR53,HYALURONIDASE,CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O,529.4920000000003,-6.401599999999988,257.31999999999994,7,36,10,15,0.1470363758205632
2j9a,1.73,2006,ALA-AHY,D,2-1,ic50,=,1.3,uM,-5.886056647693163,MOAD,ic50=1.3uM,P00727,CYTOSOL AMINOPEPTIDASE,CCCCCCC[C@@H]([NH3+])[C@H](O)C(=O)N[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-],727.8999999999999,0.31220000000000675,236.06999999999996,22,52,7,9,0.08259877009289229
2nmn,2.45,2007,BGC-GAL,B,1-2,kd,=,260.0,uM,-3.5850266520291822,MOAD,Kd=260.0uM,P17931,Galectin-3,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2nmo,1.35,2007,BGC-GAL,B,1-2,kd,=,260.0,uM,-3.5850266520291822,MOAD,Kd=260.0uM,P17931,Galectin-3,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2nn8,1.35,2007,BGC-GAL,B,1-2,kd,=,260.0,uM,-3.5850266520291822,MOAD,Kd=260.0uM,P17931,Galectin-3,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2nn8,1.35,2007,GLC-GAL,C,1-2,kd,=,260.0,uM,-3.5850266520291822,MOAD,Kd=260.0uM,P17931,Galectin-3,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2o9r,2.3,2007,SGC-BGC,B,1-2,ki,=,21.0,mM,-1.6777807052660807,MOAD,Ki=21.0mM,P22505,Beta-glucosidase B,OC[C@H]1O[C@@H](S[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,358.36500000000007,-4.680599999999994,180.29999999999998,4,23,8,11,0.24185277536552569
2olb,1.4,1996,LYS-LYS,B,1-3,kd,=,2900.0,nM,-5.537602002101044,MOAD,Kd=2900.0nM,P06202,OLIGO-PEPTIDE BINDING PROTEIN,[NH3+]CCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-],405.5640000000002,-5.447000000000011,208.89,17,28,6,4,0.13076436876215164
2pel,2.25,1996,GLC-GAL,E,1-2,ki,=,1.37,mM,-2.8632794328435933,MOAD,Ki=1.37mM,P02872,PEANUT LECTIN,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2pel,2.25,1996,GLC-GAL,F,1-2,ki,=,1.37,mM,-2.8632794328435933,MOAD,Ki=1.37mM,P02872,PEANUT LECTIN,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2pel,2.25,1996,BGC-GAL,G,1-2,ki,=,1.37,mM,-2.8632794328435933,MOAD,Ki=1.37mM,P02872,PEANUT LECTIN,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2pel,2.25,1996,GLC-GAL,H,1-2,ki,=,1.37,mM,-2.8632794328435933,MOAD,Ki=1.37mM,P02872,PEANUT LECTIN,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2puy,1.43,2007,ALA-SER,E,1-10,kd,~,30.0,uM,-4.522878745280337,MOAD,Kd~30.0uM,"Q96BD5,Q96BD5","PHD finger protein 21A,PHD finger protein 21A",C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CO)C(=O)[O-])[C@@H](C)O)[C@@H](C)O,1150.3519999999996,-16.519199999999884,616.0099999999998,41,80,22,15,0.015353490919409971
2pv1,1.3,2007,TRP-VAL,B,1-7,kd,=,0.073,uM,-7.136677139879544,MOAD,Kd=0.073uM,P0ABZ6,Chaperone surA,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)[O-])C(C)C,919.0259999999997,-3.4583000000000004,352.81999999999994,24,66,9,12,0.04237284786816943
2q3c,2.1,2007,ASP-ILE,B,1-4,ki,=,5.0,uM,-5.301029995663981,MOAD,Ki=5.0uM,P9WP55,Cysteine synthase A,CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CC(=O)[O-])C(=O)[O-],479.5100000000002,-4.777699999999992,215.42999999999998,14,34,5,8,0.17402136091867879
2qbw,1.8,2008,PRO-VAL,B,6-13,kd,=,56.0,nM,-7.251811972993799,MOAD,Kd=56.0nM,Q96RT1,PDZ-Fibronectin fusion protein,CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC[NH2+]1)C(C)C)C(=O)[O-],926.0180000000001,-6.204300000000025,370.88999999999993,24,66,10,13,0.046932443328737215
2qzx,2.5,2008,IVA-STA,C,2001-2006,ic50,=,6.0,nM,-8.221848749616356,MOAD,ic50=6.0nM,P43094,Candidapepsin-5,CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)[O-])C(C)C)C(C)C,684.8960000000002,0.13250000000000856,226.09,22,48,7,9,0.0821679303830404
2qzx,2.5,2008,IVA-STA,D,2001-2006,ic50,=,6.0,nM,-8.221848749616356,MOAD,ic50=6.0nM,P43094,Candidapepsin-5,CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)[O-])C(C)C)C(C)C,684.8960000000002,0.13250000000000856,226.09,22,48,7,9,0.0821679303830404
2r0z,2.096,2007,ALA-ASP,Q,2-7,kd,=,3400.0,nM,-5.468521082957745,MOAD,Kd=3400.0nM,A2NHM3,IgG2a Fab fragment light chain,C[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-],773.873,-9.005000000000011,373.36,25,55,11,10,0.02546184851606902
2rdg,1.6,2007,NDG-FUC,B,1-4,kd,=,0.72,uM,-6.142667503568732,MOAD,Kd=0.72uM,A8E1U5,Superantigen-like protein 11,CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H](CO)O[C@@H]1O,819.7400000000008,-10.562500000000021,405.7000000000001,14,56,14,23,0.07733992021607045
2rfy,1.7,2008,BGC-BGC,E,1-2,kd,~,6.0,uM,-5.221848749616356,MOAD,Kd~6.0uM,Q8J0K6,"Cellulose 1,4-beta-cellobiosidase",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.297,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2rfy,1.7,2008,BGC-BGC,F,1-2,kd,~,6.0,uM,-5.221848749616356,MOAD,Kd~6.0uM,Q8J0K6,"Cellulose 1,4-beta-cellobiosidase",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.297,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2rfy,1.7,2008,BGC-BGC,G,1-2,kd,~,6.0,uM,-5.221848749616356,MOAD,Kd~6.0uM,Q8J0K6,"Cellulose 1,4-beta-cellobiosidase",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.297,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2rfy,1.7,2008,BGC-BGC,H,1-2,kd,~,6.0,uM,-5.221848749616356,MOAD,Kd~6.0uM,Q8J0K6,"Cellulose 1,4-beta-cellobiosidase",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.297,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2v2w,1.6,2007,SER-LEU,C,1-9,kd,=,2.2,uM,-5.657577319177793,MOAD,Kd=2.2uM,P04439,"HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, A-2 ALPHA CHAIN",CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CO)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)[O-],981.1150000000001,-6.429100000000021,424.57999999999987,29,69,14,15,0.03551039741075296
2v2w,1.6,2007,SER-LEU,F,1-9,kd,=,2.2,uM,-5.657577319177793,MOAD,Kd=2.2uM,P04439,"HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, A-2 ALPHA CHAIN",CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CO)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)[O-],981.1150000000001,-6.429100000000021,424.57999999999987,29,69,14,15,0.03551039741075296
2v2x,1.6,2007,SER-LEU,C,1-9,kd,=,5.2,uM,-5.2839966563652006,MOAD,Kd=5.2uM,P04439,"HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, A-2 ALPHA CHAIN",CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CO)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)[O-],965.1160000000001,-6.134700000000019,404.34999999999985,29,68,13,14,0.035568005065459055
2v2x,1.6,2007,SER-LEU,F,1-9,kd,=,5.2,uM,-5.2839966563652006,MOAD,Kd=5.2uM,"P04439,P61769","HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, A-2 ALPHA CHAIN,BETA-2 MICROGLOBULIN",CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CO)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)[O-],965.1160000000001,-6.134700000000019,404.34999999999985,29,68,13,14,0.035568005065459055
2v89,1.1,2007,ALA-ALA,D,3001-3010,kd,=,4.15,uM,-5.381951903287908,MOAD,Kd=4.15uM,P21784,VDJ RECOMBINATION-ACTIVATING PROTEIN 2,C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)[O-])[C@@H](C)O)[C@@H](C)O,1090.3159999999996,-11.450999999999949,504.4999999999998,37,76,17,14,0.011889373762089993
2v89,1.1,2007,ALA-ALA,E,2001-2010,kd,=,4.15,uM,-5.381951903287908,MOAD,Kd=4.15uM,"P21784,P21784","VDJ RECOMBINATION-ACTIVATING PROTEIN 2,VDJ RECOMBINATION-ACTIVATING PROTEIN 2",C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)[O-])[C@@H](C)O)[C@@H](C)O,1090.3159999999996,-11.450999999999949,504.4999999999998,37,76,17,14,0.011889373762089993
2wr9,1.75,2009,MAN-MAN,E,1-2,kd,=,2.6,uM,-5.585026652029182,MOAD,Kd=2.6uM,"B4EH87,B4EH87","LECTIN,LECTIN",OC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H](CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2wr9,1.75,2009,MAN-MAN,F,1-2,kd,=,2.6,uM,-5.585026652029182,MOAD,Kd=2.6uM,"B4EH87,B4EH87","LECTIN,LECTIN",OC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H](CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2wsv,2.0,2010,GLC-GAL,B,1-2,kd,~,100.0,mM,-1.0,MOAD,Kd~100.0mM,Q83467,PUTATIVE FIBER PROTEIN,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2wsv,2.0,2010,GLC-GAL,C,1-2,kd,~,100.0,mM,-1.0,MOAD,Kd~100.0mM,Q83467,PUTATIVE FIBER PROTEIN,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2xfe,1.82,2010,GAL-GAL,B,1-2,kd,=,7.462686567164179e-05,M,-4.127104798364807,MOAD,Ka=13400.0M^-1,D7GNB4,CARBOHYDRATE BINDING MODULE,OC[C@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2xjs,1.3,2010,MAN-MAN,B,1-2,kd,=,3.5,mM,-2.4559319556497243,MOAD,Kd=3.5mM,P38894,FLOCCULATION PROTEIN FLO5,OC[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2xju,1.7,2010,MAN-MAN,B,1-2,kd,=,1.6,mM,-2.795880017344075,MOAD,Kd=1.6mM,P38894,FLOCCULATION PROTEIN FLO5,OC[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2ygm,2.35,2011,NAG-GLA,C,1-4,kd,=,1.4492753623188403e-05,M,-4.838849090737256,MOAD,Ka=69000.0M^-1,C1CB04,BLOOD GROUP A-AND B-CLEAVING ENDO-BETA-GALACTOSIDASE,CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1O,691.6330000000005,-8.57740000000001,336.47,10,47,13,20,0.10108773796932562
2ygm,2.35,2011,NAG-GLA,D,1-4,kd,=,1.4492753623188403e-05,M,-4.838849090737256,MOAD,Ka=69000.0M^-1,"C1CB04,C1CB04","BLOOD GROUP A-AND B-CLEAVING ENDO-BETA-GALACTOSIDASE,BLOOD GROUP A-AND B-CLEAVING ENDO-BETA-GALACTOSIDASE",CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1O,691.6330000000005,-8.57740000000001,336.47,10,47,13,20,0.10108773796932562
2ymz,1.75,2013,BGC-GAL,G,1-2,kd,=,0.0001666666666666,M,-3.778151250383644,MOAD,Ka=6000.0M^-1,E1C0Z4,GALECTIN 2,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
2ymz,1.75,2013,BGC-GAL,H,1-2,kd,=,0.0001666666666666,M,-3.778151250383644,MOAD,Ka=6000.0M^-1,E1C0Z4,GALECTIN 2,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
3alt,2.5,2011,GLC-GLA,E,1-2,kd,=,0.003030303030303,M,-2.5185139398778875,MOAD,Ka=330.0M^-1,"Q7M4F9,Q7M4F9","Lectin CEL-IV, C-type,Lectin CEL-IV, C-type",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
3alt,2.5,2011,GLC-GLA,F,1-2,kd,=,0.003030303030303,M,-2.5185139398778875,MOAD,Ka=330.0M^-1,"Q7M4F9,Q7M4F9","Lectin CEL-IV, C-type,Lectin CEL-IV, C-type",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
3alt,2.5,2011,GLC-GLA,G,1-2,kd,=,0.003030303030303,M,-2.5185139398778875,MOAD,Ka=330.0M^-1,"Q7M4F9,Q7M4F9","Lectin CEL-IV, C-type,Lectin CEL-IV, C-type",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
3alt,2.5,2011,GLC-GLA,H,1-2,kd,=,0.003030303030303,M,-2.5185139398778875,MOAD,Ka=330.0M^-1,"Q7M4F9,Q7M4F9","Lectin CEL-IV, C-type,Lectin CEL-IV, C-type",OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
3atw,2.36,2011,ACE-HSV,C,1-5,ic50,=,98.0,nM,-7.008773924307505,MOAD,ic50=98.0nM,"P0C6U8,P0C6U8","3C-Like Proteinase,3C-Like Proteinase",CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C=O)Cc1c[nH]cn1)C(C)C)[C@@H](C)O,534.6580000000004,0.11740000000000578,182.37999999999997,14,38,6,7,0.18316346535739705
3atw,2.36,2011,ACE-HSV,D,1-5,ic50,=,98.0,nM,-7.008773924307505,MOAD,ic50=98.0nM,"P0C6U8,P0C6U8","3C-Like Proteinase,3C-Like Proteinase",CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C=O)Cc1c[nH]cn1)C(C)C)[C@@H](C)O,534.6580000000004,0.11740000000000578,182.37999999999997,14,38,6,7,0.18316346535739705
3av9,1.7,2012,SER-ASP,X,1-8,ic50,=,435.0,uM,-3.3615107430453626,MOAD,ic50=435.0uM,"P12497,P12497","Integrase,Integrase",CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)[O-])NC1=O,855.9239999999999,-8.449600000000022,404.0199999999999,15,60,11,14,0.06821445372529757
3av9,1.7,2012,SER-ASP,Y,1-8,ic50,=,435.0,uM,-3.3615107430453626,MOAD,ic50=435.0uM,"P12497,P12497","Integrase,Integrase",CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)[O-])NC1=O,855.9239999999999,-8.449600000000022,404.0199999999999,15,60,11,14,0.06821445372529757
3ava,1.7,2012,ALA-ASP,X,1-8,ic50,=,39.7,uM,-4.401209493236885,MOAD,ic50=39.7uM,"P12497,P12497","Integrase,Integrase",CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)[O-])NC1=O,882.006,-6.395800000000021,383.7899999999999,16,62,10,13,0.06461139718914641
3ava,1.7,2012,ALA-ASP,Y,1-8,ic50,=,39.7,uM,-4.401209493236885,MOAD,ic50=39.7uM,"P12497,P12497","Integrase,Integrase",CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)[O-])NC1=O,882.006,-6.395800000000021,383.7899999999999,16,62,10,13,0.06461139718914641
3avb,1.85,2012,SER-ASP,X,1-8,ic50,=,85.2,uM,-4.0695604052333,MOAD,ic50=85.2uM,"P12497,P12497","Integrase,Integrase",CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)[O-])NC1=O,898.005,-7.423400000000028,404.0199999999999,17,63,11,14,0.06048914361614454
3avb,1.85,2012,SER-ASP,Y,1-8,ic50,=,85.2,uM,-4.0695604052333,MOAD,ic50=85.2uM,"P12497,P12497","Integrase,Integrase",CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)[O-])NC1=O,898.005,-7.423400000000028,404.0199999999999,17,63,11,14,0.06048914361614454
3avl,1.88,2012,ALA-ASP,E,1-8,ic50,=,65.8,uM,-4.181774106386045,MOAD,ic50=65.8uM,"P12497,P12497","Integrase,Integrase",CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)[O-])NC1=O,869.9509999999999,-8.061100000000023,404.0199999999999,15,61,11,14,0.06816573205640783
3avl,1.88,2012,ALA-ASP,F,1-8,ic50,=,65.8,uM,-4.181774106386045,MOAD,ic50=65.8uM,"P12497,P12497","Integrase,Integrase",CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)[O-])NC1=O,869.9509999999999,-8.061100000000023,404.0199999999999,15,61,11,14,0.06816573205640783
3avz,2.46,2011,ACE-HSV,B,1-6,ic50,=,65.0,nM,-7.187086643357144,MOAD,ic50=65.0nM,P0C6U8,3C-Like Proteinase,CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](C=O)Cc1c[nH]cn1)C(C)C,591.7100000000005,-0.7663999999999918,211.48,16,42,7,8,0.12107413100724826
3aw0,2.3,2011,ACE-HSV,B,1-6,ic50,=,5.7,uM,-5.2441251443275085,MOAD,ic50=5.7uM,P0C6U8,3C-Like Proteinase,CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)Cc1c[nH]cn1)C(C)C,551.6450000000003,-1.690699999999991,211.48,16,39,7,8,0.11750381666221678
3bgm,1.6,2008,ARG-VAL,C,1-9,ic50,=,38.5,nM,-7.414539270491499,MOAD,ic50=38.5nM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](COP(=O)([O-])[O-])NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)[O-])C(C)C,1039.0719999999997,-11.467699999999978,520.1799999999998,34,71,15,17,0.012313949740155653
3bh8,1.65,2008,ARG-MET,C,1-10,ic50,=,11.2,nM,-7.950781977329818,MOAD,ic50=11.2nM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CC[C@H](C)[C@H](NC(=O)[C@H](COP(=O)([O-])[O-])NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)[O-],1209.2849999999996,-11.841799999999951,560.3899999999999,39,82,14,20,0.011760367573162678
3bh9,1.7,2008,ARG-VAL,C,1-10,ic50,=,116.9,nM,-6.93218548883816,MOAD,ic50=116.9nM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](COP(=O)([O-])[O-])NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)[O-])C(C)C,1232.3229999999996,-11.837699999999948,568.1299999999998,38,84,16,19,0.012650652864232033
3bhb,2.2,2008,LYS-LEU,C,1-10,ic50,=,3.4,nM,-8.468521082957745,MOAD,ic50=3.4nM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CSCC[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](COP(=O)([O-])[O-])NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CCSC)NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-],1304.427,-9.645899999999974,553.0799999999997,45,88,12,22,0.02130861203300002
3bv9,1.8,2008,DAR-NH2,C,401-406,ki,=,4.4,uM,-5.356547323513812,MOAD,Ki=4.4uM,"P00734,P00734","Thrombin heavy chain,Thrombin light chain",Cc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H]([NH3+])CCCNC(N)=[NH2+])C(N)=O)cc1,655.8450000000003,-2.7828800000000005,233.19,13,47,7,5,0.067017919766062
3c88,1.6,2008,ARG-NH2,B,500-504,ki,=,157.0,nM,-6.804100347590767,MOAD,Ki=157.0nM,P0DPI1,Botulinum neurotoxin A light chain,NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](CS)C(N)=O,492.6310000000002,-9.015000000000011,285.31,16,33,12,5,0.04236803735861111
3c89,1.58,2008,ARG-NH2,B,500-504,ki,=,845.0,nM,-6.073143291050307,MOAD,Ki=845.0nM,P0DPI1,Botulinum neurotoxin A light chain,CSCC[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(N)=O,520.6850000000002,-8.191700000000015,285.31,18,35,11,5,0.04636775952539749
3c8a,1.52,2008,ARG-NH2,B,500-504,ki,=,660.0,nM,-6.180456064458131,MOAD,Ki=660.0nM,P0DPI1,Botulinum neurotoxin A light chain,CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(N)=O,502.64500000000027,-7.898700000000016,285.31,17,35,11,4,0.0514116118116442
3c8b,1.47,2008,ARG-NH2,B,500-504,ki,=,786.0,nM,-6.104577453960593,MOAD,Ki=786.0nM,P0DPI1,Botulinum neurotoxin A light chain,CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(N)=O,502.64500000000027,-7.898700000000016,285.31,17,35,11,4,0.0514116118116442
3ch8,1.9,2009,PRO-VAL,P,6-13,kd,=,56.0,nM,-7.251811972993799,MOAD,Kd=56.0nM,Q96RT1,"fusion protein PDZ-Fibronectin,Fibronectin",CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC[NH2+]1)C(C)C)C(=O)[O-],926.0180000000001,-6.204300000000025,370.88999999999993,24,66,10,13,0.046932443328737215
3che,2.05,2008,ACE-ASP,C,439-442,ic50,=,5.1,uM,-5.292429823902063,MOAD,ic50=5.1uM,Q873X9,Chitinase,CNC(=O)NC(=[NH2+])NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-],548.5770000000003,-5.650600000000002,237.51999999999998,14,39,6,8,0.07366304604201537
3che,2.05,2008,ACE-ASP,D,439-442,ic50,=,5.1,uM,-5.292429823902063,MOAD,ic50=5.1uM,Q873X9,Chitinase,CNC(=O)NC(=[NH2+])NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-],548.5770000000003,-5.650600000000002,237.51999999999998,14,39,6,8,0.07366304604201537
3chf,1.95,2008,ACE-ASP,C,440-444,ic50,=,4.3,uM,-5.366531544420414,MOAD,ic50=4.3uM,Q873X9,Chitinase,CNC(=O)NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](C)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-],619.6560000000002,-6.145900000000008,266.62,16,44,7,9,0.052260555188982497
3chf,1.95,2008,ACE-ASP,D,440-444,ic50,=,4.3,uM,-5.366531544420414,MOAD,ic50=4.3uM,Q873X9,Chitinase,CNC(=O)NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](C)NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-],619.6560000000002,-6.145900000000008,266.62,16,44,7,9,0.052260555188982497
3cyy,2.4,2008,ARG-ILE,C,1-9,kd,=,16.8,uM,-4.774690718274137,MOAD,Kd=16.8uM,"Q07157,Q07157","Tight junction protein ZO-1,Tight junction protein ZO-1",CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)[O-],1109.2299999999998,-13.972899999999932,530.6599999999999,34,78,13,16,0.01616340440736326
3cyy,2.4,2008,ARG-ILE,D,1-9,kd,=,16.8,uM,-4.774690718274137,MOAD,Kd=16.8uM,"Q07157,Q07157","Tight junction protein ZO-1,Tight junction protein ZO-1",CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)[O-],1109.2299999999998,-13.972899999999932,530.6599999999999,34,78,13,16,0.01616340440736326
3d25,1.3,2009,VAL-ALA,C,1-9,ic50,=,22.0,nM,-7.657577319177793,MOAD,ic50=22.0nM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](C)C(=O)[O-],1021.1159999999998,-8.184700000000017,449.6399999999999,33,72,10,17,0.03125565480479244
3d9u,2.3,2008,ALA-GLN,B,1-6,kd,=,85.0,nM,-7.070581074285707,MOAD,Kd=85.0nM,Q13490,Baculoviral IAP repeat-containing protein 2,CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)[NH3+])C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-],597.714,-3.7155999999999993,247.57,16,42,6,8,0.10297911507640095
3dda,1.5,2008,GLN-NH2,B,197-203,ic50,=,132.9,uM,-3.876475019057268,MOAD,ic50=132.9uM,P0DPI1,Botulinum neurotoxin A light chain,CSCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCC(N)=O)[C@@H](C)O)C(N)=O,735.9339999999995,-8.218700000000013,370.8299999999999,26,50,13,9,0.02246718380725685
3ddb,1.6,2008,ARG-NH2,B,197-203,ic50,=,94.9,uM,-4.022733787572707,MOAD,ic50=94.9uM,P0DPI1,Botulinum neurotoxin A light chain,CSCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])[C@@H](C)O)C(N)=O,764.9999999999995,-10.04059999999998,391.37999999999994,27,52,15,8,0.02106635832686759
3dpc,2.3,2009,HIS-ASP,C,1-10,kd,=,44.0,uM,-4.356547323513812,MOAD,Kd=44.0uM,"P00634,P00634","Alkaline phosphatase,Alkaline phosphatase",C[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1)[C@@H](C)OP(=O)([O-])[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-],1171.1699999999994,-12.543699999999948,548.7299999999999,35,81,11,20,0.022203930096187246
3er5,1.8,1991,PRO-LYS,I,1-10,ki,=,1.0,nM,-9.0,MOAD,Ki=1.0nM,P11838,ENDOTHIAPEPSIN,CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC[NH2+]1)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-],1269.5410000000002,-3.6170000000000275,443.7599999999999,37,91,14,15,0.01940176755699239
3f5l,1.37,2009,BGC-BGC,C,1-2,ki,=,0.191,mM,-3.718966632752272,MOAD,Ki=0.191mM,Q75I93,Beta-glucosidase,OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,342.297,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
3f5l,1.37,2009,BGC-BGC,D,1-2,ki,=,0.191,mM,-3.718966632752272,MOAD,Ki=0.191mM,Q75I93,Beta-glucosidase,OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,342.297,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
3fe7,1.35,2009,ACE-NH2,L,1-10,kd,=,75.0,nM,-7.1249387366083,MOAD,Kd=75.0nM,O15151,Mdm4 protein,CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(CP(=O)([O-])[O-])cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)[O-])C(=O)NC1(C(=O)N[C@@H](CC(C)C)C(N)=O)CC1,1172.289,-1.103600000000001,394.9999999999999,32,82,10,15,0.02595369343032503
3fea,1.33,2009,ACE-NH2,L,1-10,kd,=,36.0,nM,-7.443697499232712,MOAD,Kd=36.0nM,O15151,Mdm4 protein,CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(CP(=O)([O-])[O-])cc1)C(=O)N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)N[C@@H](CCC(=O)[O-])C(=O)NC1(C(=O)N[C@@H](CC(C)C)C(N)=O)CC1,1206.734,-0.4501999999999992,394.9999999999999,32,83,10,15,0.027701471842955492
3fea,1.33,2009,ACE-NH2,M,1-10,kd,=,36.0,nM,-7.443697499232712,MOAD,Kd=36.0nM,O15151,Mdm4 protein,CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(CP(=O)([O-])[O-])cc1)C(=O)N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)N[C@@H](CCC(=O)[O-])C(=O)NC1(C(=O)N[C@@H](CC(C)C)C(N)=O)CC1,1206.734,-0.4501999999999992,394.9999999999999,32,83,10,15,0.027701471842955492
3ft2,1.8,2009,VAL-ALA,P,1-9,ic50,=,44.0,nM,-7.356547323513812,MOAD,ic50=44.0nM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](C)C(=O)[O-],1041.1469999999997,-8.701999999999998,476.07999999999987,35,73,11,17,0.026266273424111565
3ft3,1.95,2009,VAL-ALA,P,1-9,ic50,=,44.0,nM,-7.356547323513812,MOAD,ic50=44.0nM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](C)C(=O)[O-],1021.1159999999998,-8.184700000000017,449.6399999999998,33,72,10,17,0.03125565480479244
3ft4,1.9,2009,VAL-ALA,P,1-9,ic50,=,1171.0,nM,-5.931443104927637,MOAD,ic50=1171.0nM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](C)C(=O)[O-],1041.1709999999998,-10.706899999999976,484.59999999999985,35,73,12,16,0.01592930122566889
3fv3,1.85,2009,IVA-STA,I,501-506,ki,=,0.3,nM,-9.522878745280336,MOAD,Ki=0.3nM,P32951,Sapp1p-secreted aspartic protease 1,CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)[O-])C(C)C)C(C)C,684.8960000000002,0.13250000000000856,226.09,22,48,7,9,0.0821679303830404
3fv3,1.85,2009,IVA-STA,J,501-506,ki,=,0.3,nM,-9.522878745280336,MOAD,Ki=0.3nM,P32951,Sapp1p-secreted aspartic protease 1,CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)[O-])C(C)C)C(C)C,684.8960000000002,0.13250000000000856,226.09,22,48,7,9,0.0821679303830404
3fv3,1.85,2009,IVA-STA,K,501-506,ki,=,0.3,nM,-9.522878745280336,MOAD,Ki=0.3nM,P32951,Sapp1p-secreted aspartic protease 1,CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)[O-])C(C)C)C(C)C,684.8960000000002,0.13250000000000856,226.09,22,48,7,9,0.0821679303830404
3fv3,1.85,2009,IVA-STA,L,501-506,ki,=,0.3,nM,-9.522878745280336,MOAD,Ki=0.3nM,P32951,Sapp1p-secreted aspartic protease 1,CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)[O-])C(C)C)C(C)C,684.8960000000002,0.13250000000000856,226.09,22,48,7,9,0.0821679303830404
3fv3,1.85,2009,IVA-STA,M,501-506,ki,=,0.3,nM,-9.522878745280336,MOAD,Ki=0.3nM,P32951,Sapp1p-secreted aspartic protease 1,CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)[O-])C(C)C)C(C)C,684.8960000000002,0.13250000000000856,226.09,22,48,7,9,0.0821679303830404
3fv3,1.85,2009,IVA-STA,N,501-506,ki,=,0.3,nM,-9.522878745280336,MOAD,Ki=0.3nM,P32951,Sapp1p-secreted aspartic protease 1,CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)[O-])C(C)C)C(C)C,684.8960000000002,0.13250000000000856,226.09,22,48,7,9,0.0821679303830404
3fv3,1.85,2009,IVA-STA,O,501-506,ki,=,0.3,nM,-9.522878745280336,MOAD,Ki=0.3nM,P32951,Sapp1p-secreted aspartic protease 1,CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)[O-])C(C)C)C(C)C,684.8960000000002,0.13250000000000856,226.09,22,48,7,9,0.0821679303830404
3fv3,1.85,2009,IVA-STA,P,501-506,ki,=,0.3,nM,-9.522878745280336,MOAD,Ki=0.3nM,P32951,Sapp1p-secreted aspartic protease 1,CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)[O-])C(C)C)C(C)C,684.8960000000002,0.13250000000000856,226.09,22,48,7,9,0.0821679303830404
3fvh,1.58,2009,ACE-NH2,B,1-7,kd,=,0.447,uM,-6.349692476868063,MOAD,Kd=0.447uM,P53350,Serine/threonine-protein kinase PLK1,CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)[C@@H](C)OP(=O)([O-])[O-],646.595,-4.826500000000004,309.91999999999996,18,44,8,12,0.0696723305754169
3fwv,2.2,2009,ACE-PHE,C,0-5,kd,=,2.3,uM,-5.638272163982407,MOAD,Kd=2.3uM,P31948,Hsc70/Hsp90-organizing protein,CSCC[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C(C)C,692.7680000000003,-4.107800000000006,265.89,22,48,5,12,0.07763053346407849
3fwv,2.2,2009,ACE-PHE,D,0-5,kd,=,2.3,uM,-5.638272163982407,MOAD,Kd=2.3uM,P31948,Hsc70/Hsp90-organizing protein,CSCC[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C(C)C,692.7680000000003,-4.107800000000006,265.89,22,48,5,12,0.07763053346407849
3gso,1.6,2009,ASN-VAL,P,1-9,kd,=,27.7,uM,-4.557520230935552,MOAD,Kd=27.7uM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CC(N)=O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)[C@@H](C)O)C(C)C,943.1790000000002,-4.225300000000013,355.09999999999997,27,65,10,13,0.03739499677690167
3gsr,1.95,2009,ASN-VAL,P,1-9,kd,=,60.2,uM,-4.220403508742176,MOAD,Kd=60.2uM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C,911.1120000000002,-4.322400000000014,355.09999999999997,25,64,10,12,0.04160258778788412
3gsu,1.8,2009,ASN-VAL,P,1-9,kd,=,58.2,uM,-4.235077015350111,MOAD,Kd=58.2uM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C,913.0840000000002,-5.59760000000002,375.3299999999999,25,64,11,13,0.04077195390784423
3gsv,1.9,2009,ASN-VAL,P,1-9,kd,=,57.5,uM,-4.2403321553103694,MOAD,Kd=57.5uM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)[C@@H](C)O)C(C)C)C(C)C,940.1100000000002,-5.71290000000002,398.18999999999994,27,66,11,13,0.03664226060801163
3h7b,1.88,2010,MET-VAL,C,1-9,kd,=,41.0,uM,-4.3872161432802645,MOAD,Kd=41.0uM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CSCC[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)[O-])C(C)C,1172.4169999999997,-0.756000000000004,399.9099999999999,34,83,13,14,0.027379649323527062
3h7b,1.88,2010,MET-VAL,F,1-9,kd,=,41.0,uM,-4.3872161432802645,MOAD,Kd=41.0uM,"P04439,P04439","HLA class I histocompatibility antigen, A-2 alpha chain,HLA class I histocompatibility antigen, A-2 alpha chain",CSCC[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)[O-])C(C)C,1172.4169999999997,-0.756000000000004,399.9099999999999,34,83,13,14,0.027379649323527062
3h9h,2.0,2010,MET-VAL,C,1-9,kd,=,5.4,uM,-5.267606240177032,MOAD,Kd=5.4uM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CSCC[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)[O-])C(C)C,1172.4169999999997,-0.756000000000004,399.9099999999999,34,83,13,14,0.027379649323527062
3h9h,2.0,2010,MET-VAL,F,1-9,kd,=,5.4,uM,-5.267606240177032,MOAD,Kd=5.4uM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CSCC[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)[O-])C(C)C,1172.4169999999997,-0.756000000000004,399.9099999999999,34,83,13,14,0.027379649323527062
3hik,1.77,2009,ACE-TPO,B,0-5,kd,=,0.445,uM,-6.351639989019068,MOAD,Kd=0.445uM,P53350,Serine/threonine-protein kinase PLK1,CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)[O-])[C@@H](C)OP(=O)([O-])[O-],672.6090000000003,-5.075600000000004,298.16999999999996,17,46,6,13,0.08455302029371867
3hp8,2.0,2009,GLC-FRU,C,1-2,kd,=,7.3,mM,-2.136677139879544,MOAD,Kd=7.3mM,,,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,342.297,-5.395599999999992,189.52999999999997,5,23,8,11,0.2378914345193498
3hp8,2.0,2009,GLC-FRU,D,1-2,kd,=,7.3,mM,-2.136677139879544,MOAD,Kd=7.3mM,,,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,342.297,-5.395599999999992,189.52999999999997,5,23,8,11,0.2378914345193498
3hp8,2.0,2009,GLC-FRU,E,1-2,kd,=,7.3,mM,-2.136677139879544,MOAD,Kd=7.3mM,,,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,342.297,-5.395599999999992,189.52999999999997,5,23,8,11,0.2378914345193498
3hp8,2.0,2009,GLC-FRU,F,1-2,kd,=,7.3,mM,-2.136677139879544,MOAD,Kd=7.3mM,,,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,342.297,-5.395599999999992,189.52999999999997,5,23,8,11,0.2378914345193498
3hpi,2.0,2010,GLC-FRU,C,1-2,kd,=,6.6,uM,-5.180456064458132,MOAD,Kd=6.6uM,P0AEX9,Maltose-binding periplasmic protein,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,342.297,-5.395599999999992,189.52999999999997,5,23,8,11,0.2378914345193498
3hpi,2.0,2010,GLC-FRU,D,1-2,kd,=,6.6,uM,-5.180456064458132,MOAD,Kd=6.6uM,P0AEX9,Maltose-binding periplasmic protein,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,342.297,-5.395599999999992,189.52999999999997,5,23,8,11,0.2378914345193498
3i8t,2.1,2011,GLC-GAL,B,1-2,kd,=,600.0,uM,-3.2218487496163566,MOAD,Kd=600.0uM,Q8K419,Galectin-4,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
3ixa,2.1,2010,LEU-VAL,C,1-9,kd,=,9.8,uM,-5.008773924307505,MOAD,Kd=9.8uM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C,1070.2989999999995,-0.09369999999999412,332.23999999999995,28,77,10,12,0.04563845079531488
3ixa,2.1,2010,LEU-VAL,F,1-9,kd,=,9.8,uM,-5.008773924307505,MOAD,Kd=9.8uM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C,1070.2989999999995,-0.09369999999999412,332.23999999999995,28,77,10,12,0.04563845079531488
3k05,1.33,2010,SEP-NH2,C,139-143,ki,=,51.0,uM,-4.292429823902063,MOAD,Ki=51.0uM,"Q14676,Q14676","Mediator of DNA damage checkpoint protein 1,Mediator of DNA damage checkpoint protein 1",NC(=O)CC[C@H](NC(=O)[C@@H]([NH3+])COP(=O)([O-])[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O,602.4940000000004,-6.874200000000012,333.8999999999999,18,41,7,12,0.0770763031008453
3k05,1.33,2010,SEP-NH2,D,139-143,ki,=,51.0,uM,-4.292429823902063,MOAD,Ki=51.0uM,"Q14676,Q14676","Mediator of DNA damage checkpoint protein 1,Mediator of DNA damage checkpoint protein 1",NC(=O)CC[C@H](NC(=O)[C@@H]([NH3+])COP(=O)([O-])[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O,602.4940000000004,-6.874200000000012,333.9,18,41,7,12,0.0770763031008453
3kla,1.65,2010,SER-LEU,C,1-9,kd,=,31.1,uM,-4.507239610973162,MOAD,Kd=31.1uM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])[C@@H](C)O,1104.3829999999996,-2.474700000000012,399.90999999999985,35,77,13,14,0.034040268652902016
3kla,1.65,2010,SER-LEU,F,1-9,kd,=,31.1,uM,-4.507239610973162,MOAD,Kd=31.1uM,"P04439,P61769,P04439","HLA class I histocompatibility antigen, A-2 alpha chain,Beta-2-microglobulin,HLA class I histocompatibility antigen, A-2 alpha chain",CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)[O-])[C@@H](C)O,1104.3829999999996,-2.474700000000012,399.90999999999985,35,77,13,14,0.034040268652902016
3llz,1.55,2010,ASN-ASP,B,3-16,kd,=,16.0,uM,-4.795880017344075,MOAD,Kd=16.0uM,P18674,Agglutinin alpha chain,CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCC[NH3+])NC(=O)CNC(=O)[C@@H]([NH3+])CC(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])C(C)C)[C@@H](C)CC,1457.6090000000004,-11.800499999999927,647.4799999999998,46,103,19,21,0.02737465681043688
3nik,1.85,2010,ARG-ALA,X,1-4,kd,=,358.8,uM,-3.4451475656279453,MOAD,Kd=358.8uM,"P19812,P19812,P19812","E3 ubiquitin-protein ligase UBR1,E3 ubiquitin-protein ligase UBR1,E3 ubiquitin-protein ligase UBR1",C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)[O-],445.47700000000015,-8.185300000000012,258.84,14,31,7,7,0.07588955301352365
3nim,2.0,2010,ARG-ALA,X,1-4,kd,=,17.7,uM,-4.752026733638194,MOAD,Kd=17.7uM,"P19812,P19812,P19812","E3 ubiquitin-protein ligase UBR1,E3 ubiquitin-protein ligase UBR1,E3 ubiquitin-protein ligase UBR1",C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)[O-],474.5670000000002,-9.271800000000013,282.35,15,33,10,5,0.0611065558389099
3nzw,2.5,2011,BOC-ABN,3,1-5,ic50,=,1.5,uM,-5.823908740944319,MOAD,ic50=1.5uM,"P23724,P25451,P30656,P30657","Proteasome component C5,Proteasome component PUP3,Proteasome component PRE2,Proteasome component PRE4",C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc21)C(=O)NCc1ccccc1,749.8650000000001,4.237300000000002,184.19000000000003,15,55,6,8,0.10433620155773189
3nzw,2.5,2011,BOC-ABN,4,1-5,ic50,=,1.5,uM,-5.823908740944319,MOAD,ic50=1.5uM,"P30656,P30657,P25451,P23724","Proteasome component PRE2,Proteasome component PRE4,Proteasome component PUP3,Proteasome component C5",C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@]1(O)C(=O)Nc2ccccc21)C(=O)NCc1ccccc1,749.8650000000001,4.237300000000002,184.19000000000003,15,55,6,8,0.10433620155773189
3obq,1.4,2010,PRO-LEU,B,346-354,kd,=,290.0,uM,-3.537602002101044,MOAD,Kd=290.0uM,Q99816,Tumor susceptibility gene 101 protein,CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@@H](C)O)C(C)C)C(=O)[O-],878.0379999999997,-5.045800000000015,303.62999999999994,19,62,8,12,0.06053148667057382
3obu,1.6,2010,PRO-GLU,B,5-13,kd,=,50.0,uM,-4.301029995663981,MOAD,Kd=50.0uM,Q99816,Tumor susceptibility gene 101 protein,C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]1CCC[NH2+]1)[C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],962.9879999999996,-10.14990000000001,403.78999999999996,24,68,7,17,0.04722204417712346
3obx,1.6,2010,PRO-GLU,B,5-13,kd,=,130.0,uM,-3.886056647693163,MOAD,Kd=130.0uM,Q99816,Tumor susceptibility gene 101 protein,C[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]1CCC[NH2+]1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])[C@@H](C)O,936.9499999999995,-10.636200000000002,412.5799999999999,25,66,8,17,0.042127119672887015
3ov1,1.6,2011,ACT-NH2,B,1-5,kd,=,6.25e-06,M,-5.204119982655925,MOAD,Ka=160000.0M^-1,P62993,Growth factor receptor-bound protein 2,CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(N)=O)CC1,497.40100000000035,-3.5643999999999965,245.9,12,34,5,9,0.17897712889551662
3ove,1.82,2011,ACT-NH2,B,1-5,kd,=,2.702702702702703e-07,M,-6.568201724066995,MOAD,Ka=3700000.0M^-1,P62993,Growth factor receptor-bound protein 2,CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(N)=O)CCCCCC1,553.5090000000002,-2.003999999999995,245.9,12,38,5,9,0.14155536544133765
3oyw,2.5,2010,YIO-GAL,E,1-2,kd,=,78.0,uM,-4.107905397309519,MOAD,Kd=78.0uM,P09382,Galectin-1,OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,358.3650000000001,-4.680599999999994,180.29999999999998,4,23,8,11,0.24185277536552569
3oyw,2.5,2010,YIO-GAL,F,1-2,kd,=,78.0,uM,-4.107905397309519,MOAD,Kd=78.0uM,P09382,Galectin-1,OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,358.3650000000001,-4.680599999999994,180.29999999999998,4,23,8,11,0.24185277536552569
3p9l,2.0,2011,SER-LEU,C,1-8,kd,~,5.5,uM,-5.259637310505756,MOAD,Kd~5.5uM,"P01901,P01887","H-2 class I histocompatibility antigen, K-B alpha chain,Beta-2-microglobulin",CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CO)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)[O-],963.1439999999998,-6.06860000000003,402.5599999999999,33,68,11,13,0.02928368222316528
3p9l,2.0,2011,SER-LEU,F,1-8,kd,~,5.5,uM,-5.259637310505756,MOAD,Kd~5.5uM,"P01887,P01901","Beta-2-microglobulin,H-2 class I histocompatibility antigen, K-B alpha chain",CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CO)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)[O-],963.1439999999998,-6.068600000000027,402.5599999999999,33,68,11,13,0.02928368222316528
3p9m,2.0,2011,SER-LEU,C,1-8,kd,=,10.0,uM,-5.0,MOAD,Kd=10.0uM,"P01901,P01887","H-2 class I histocompatibility antigen, K-B alpha chain,Beta-2-microglobulin",CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CO)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)[O-],906.0919999999998,-5.31260000000002,359.4699999999999,31,64,10,12,0.03126369211636362
3p9m,2.0,2011,SER-LEU,F,1-8,kd,=,10.0,uM,-5.0,MOAD,Kd=10.0uM,"P01887,P01901","Beta-2-microglobulin,H-2 class I histocompatibility antigen, K-B alpha chain",CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CO)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)[O-],906.0919999999998,-5.31260000000002,359.4699999999999,31,64,10,12,0.03126369211636362
3pab,2.2,2011,GLU-LEU,C,1-8,kd,=,20.0,uM,-4.698970004336019,MOAD,Kd=20.0uM,"P01901,P01887","H-2 class I histocompatibility antigen, K-B alpha chain,Beta-2-microglobulin",CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)[O-],1004.1729999999995,-6.530800000000021,422.45999999999987,35,71,10,14,0.028303114442877458
3pab,2.2,2011,GLU-LEU,F,1-8,kd,=,20.0,uM,-4.698970004336019,MOAD,Kd=20.0uM,"P01887,P01901","Beta-2-microglobulin,H-2 class I histocompatibility antigen, K-B alpha chain",CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CCC(=O)[O-])[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)[O-],1004.1729999999995,-6.530800000000017,422.45999999999987,35,71,10,14,0.028303114442877458
3pwj,1.7,2011,LEU-VAL,C,1-9,kd,=,70.0,uM,-4.154901959985743,MOAD,Kd=70.0uM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C,1087.2859999999996,-1.724500000000006,384.1199999999999,31,78,12,13,0.034161571719562196
3pwj,1.7,2011,LEU-VAL,F,1-9,kd,=,70.0,uM,-4.154901959985743,MOAD,Kd=70.0uM,"P04439,P04439","HLA class I histocompatibility antigen, A-2 alpha chain,HLA class I histocompatibility antigen, A-2 alpha chain",CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C,1087.2859999999996,-1.724500000000006,384.1199999999999,31,78,12,13,0.034161571719562196
3pwl,1.65,2011,LEU-ILE,C,1-9,kd,=,140.0,uM,-3.853871964321762,MOAD,Kd=140.0uM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H]([NH3+])CC(C)C)C(C)C)C(=O)[O-],1045.2049999999997,-2.7491000000000065,384.1199999999999,30,75,12,13,0.03228053207982713
3pwl,1.65,2011,LEU-ILE,F,1-9,kd,=,140.0,uM,-3.853871964321762,MOAD,Kd=140.0uM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H]([NH3+])CC(C)C)C(C)C)C(=O)[O-],1045.2049999999997,-2.7491000000000065,384.1199999999999,30,75,12,13,0.03228053207982713
3pwn,1.6,2011,LEU-ILE,C,1-9,kd,=,48.0,uM,-4.318758762624412,MOAD,Kd=48.0uM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CC(C)C)C(C)C)C(=O)[O-],1101.3129999999996,-1.3344000000000054,384.1199999999999,32,79,12,13,0.034525710088680855
3pwn,1.6,2011,LEU-ILE,F,1-9,kd,=,48.0,uM,-4.318758762624412,MOAD,Kd=48.0uM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CC(C)C)C(C)C)C(=O)[O-],1101.3129999999996,-1.3344000000000054,384.1199999999999,32,79,12,13,0.034525710088680855
3qfd,1.68,2011,ALA-VAL,C,1-9,kd,=,68.0,uM,-4.167491087293763,MOAD,Kd=68.0uM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)[C@@H](C)O)[C@@H](C)CC,813.9950000000001,-4.297100000000009,320.79999999999995,25,57,10,11,0.04205703074233055
3qfd,1.68,2011,ALA-VAL,F,1-9,kd,=,68.0,uM,-4.167491087293763,MOAD,Kd=68.0uM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)[C@@H](C)O)[C@@H](C)CC,813.9950000000001,-4.297100000000009,320.79999999999995,25,57,10,11,0.04205703074233055
3rew,1.9,2012,CYS-VAL,C,1-9,kd,=,28.8,uM,-4.540607512240769,MOAD,Kd=28.8uM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CS)[C@@H](C)O)C(=O)N[C@H](C(=O)[O-])C(C)C,906.183,-3.6540000000000097,320.79999999999995,29,61,11,13,0.032410491119763664
3rew,1.9,2012,CYS-VAL,F,1-9,kd,=,28.8,uM,-4.540607512240769,MOAD,Kd=28.8uM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CS)[C@@H](C)O)C(=O)N[C@H](C(=O)[O-])C(C)C,906.183,-3.6540000000000097,320.79999999999995,29,61,11,13,0.032410491119763664
3rq7,1.55,2011,ACE-NH2,B,1-7,ic50,=,0.017,uM,-7.769551078621726,MOAD,ic50=0.017uM,P53350,Serine/threonine-protein kinase PLK1,CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)[C@@H](C)OP(=O)([O-])[O-],860.9470000000003,-0.2834999999999911,290.27,26,60,6,13,0.05261691628624793
3rwc,2.502,2012,ILE-TRP,C,1-9,ic50,=,7.6,nM,-8.119186407719209,MOAD,ic50=7.6nM,"Q6V7J5,Q9GJ77","Beta-2-microglobulin,Major histocompatibility complex class I",CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[C@@H](C)O,1169.3959999999997,-5.439500000000022,439.3099999999999,33,84,15,12,0.012037945251646781
3rwc,2.502,2012,ILE-TRP,F,1-9,ic50,=,7.6,nM,-8.119186407719209,MOAD,ic50=7.6nM,"Q9GJ77,Q6V7J5","Major histocompatibility complex class I,Beta-2-microglobulin",CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[C@@H](C)O,1169.3959999999997,-5.439500000000029,439.3099999999999,33,84,15,12,0.012037945251646781
3rwe,2.4,2012,PHE-TRP,C,1-9,ic50,=,43.0,nM,-7.366531544420413,MOAD,ic50=43.0nM,"Q6V7J5,Q9GJ77","Beta-2-microglobulin,Major histocompatibility complex class I",CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-],1258.4459999999997,-1.9096000000000066,435.59999999999985,36,90,13,15,0.020422452018294908
3rwg,2.1,2012,MET-TRP,C,1-9,ic50,=,2.8,nM,-8.55284196865778,MOAD,ic50=2.8nM,"Q6V7J5,Q9GJ77","Beta-2-microglobulin,Major histocompatibility complex class I",CSCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[C@@H](C)O,1085.2119999999998,-6.9017000000000195,462.88999999999993,31,76,14,16,0.028476150461047515
3rwi,2.009,2012,GLY-TRP,C,1-10,ic50,=,116.0,nM,-6.935542010773082,MOAD,ic50=116.0nM,"Q6V7J5,Q9GJ77","Beta-2-microglobulin,Major histocompatibility complex class I",CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)C[NH3+])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])C(C)C,1174.2599999999998,-6.899100000000027,497.8199999999999,35,84,15,17,0.02035661058641975
3s8l,1.71,2011,ACE-NH2,B,1-5,kd,=,2.325581395348837e-06,M,-5.633468455579586,MOAD,Ka=430000.0M^-1,P62993,Growth factor receptor-bound protein 2,CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(N)=O)CCC1,511.4280000000004,-3.174299999999996,245.9,12,35,5,9,0.17728431988830295
3s8n,1.71,2011,ACE-NH2,B,1-5,kd,=,6.211180124223603e-07,M,-6.20682587603185,MOAD,Ka=1610000.0M^-1,P62993,Growth factor receptor-bound protein 2,CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(N)=O)CCCC1,525.4550000000004,-2.784199999999996,245.9,12,36,5,9,0.1767737238301642
3s8o,1.85,2011,ACE-NH2,B,1-5,kd,=,1.4367816091954026e-07,M,-6.842609239610562,MOAD,Ka=6960000.0M^-1,P62993,Growth factor receptor-bound protein 2,CC(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(N)=O)CCCCC1,539.4820000000003,-2.3940999999999955,245.9,12,37,5,9,0.17746826150689265
3tjh,2.12,2011,SER-ILE,B,1-9,kd,=,3.9,uM,-5.4089353929735005,MOAD,Kd=3.9uM,P01897,H2-Ld SBM2,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CO)C(=O)[O-],1115.2759999999996,-3.55770000000002,403.94999999999993,30,80,12,14,0.024069804088101554
3u3z,1.5,2012,SEP-PTR,B,1-4,kd,=,4.4,uM,-5.356547323513812,MOAD,Kd=4.4uM,Q8NEM0,Microcephalin,NC(=O)CC[C@H](NC(=O)[C@@H]([NH3+])COP(=O)([O-])[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1ccc(OP(=O)([O-])[O-])cc1)C(=O)[O-],680.4330000000004,-9.107700000000017,383.12999999999994,20,45,5,16,0.07979202332467171
3u8o,1.28,2012,DPN-NH2,I,1-5,ki,=,0.92,uM,-6.036212172654444,MOAD,Ki=0.92uM,"P00734,P00734","Thrombin light chain,Thrombin heavy chain",C[C@H](O)[C@@H](NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1)C(N)=O,520.6350000000002,-4.890100000000006,233.10999999999999,13,37,8,5,0.0716238851399733
3u8r,1.47,2012,DPN-NH2,I,1-5,ki,=,7.7,uM,-5.113509274827518,MOAD,Ki=7.7uM,"P00734,P00734","Thrombin light chain,Thrombin heavy chain",CC[C@H](C)[C@H](NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1)C(N)=O,532.6900000000002,-3.2247999999999983,212.88,14,38,7,4,0.07426260815431315
3u8t,1.861,2012,DPN-NH2,I,1-5,ki,=,16.5,uM,-4.782516055786093,MOAD,Ki=16.5uM,"P00734,P00734","Thrombin light chain,Thrombin heavy chain",NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](CS)C(N)=O,522.6760000000002,-4.3411,212.88,13,36,8,5,0.05543264980019289
3uec,2.18,2012,ALA-LYS,B,1-4,kd,=,61.7,uM,-4.209714835966758,MOAD,Kd=61.7uM,O15392,Baculoviral IAP repeat-containing protein 5,C[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-])[C@@H](C)OP(=O)([O-])[O-],554.5420000000003,-9.089300000000016,318.7699999999999,18,37,8,9,0.03400193021852865
3unn,1.7,2012,MET-ASP,B,1-8,kd,=,40.0,uM,-4.3979400086720375,MOAD,Kd=40.0uM,Q14676,Mediator of DNA damage checkpoint protein 1,CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]([NH3+])CCSC)[C@@H](C)OP(=O)([O-])[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-],996.9199999999997,-12.131099999999982,507.3699999999998,33,67,9,21,0.027569529391100307
3upv,1.6,2012,PRO-ASP,B,650-656,kd,=,5.0,uM,-5.301029995663981,MOAD,Kd=5.0uM,P15705,Heat shock protein STI1,CC(C)[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-],784.7970000000004,-9.736100000000024,371.9599999999999,24,55,8,15,0.04504858727242541
3uw4,1.79,2012,MAA-0DQ,Z,1-4,ki,=,0.017,uM,-7.769551078621726,MOAD,Ki=0.017uM,,,C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1,499.66100000000023,1.7814000000000005,120.9,8,35,3,6,0.5113294702072418
3uw5,1.71,2012,MAA-0DQ,Y,1-4,ki,=,0.014,uM,-7.853871964321762,MOAD,Ki=0.014uM,,,C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1,499.66100000000023,1.7814000000000005,120.9,8,35,3,6,0.5113294702072418
3uw5,1.71,2012,MAA-0DQ,Z,1-4,ki,=,0.014,uM,-7.853871964321762,MOAD,Ki=0.014uM,,,C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1,499.66100000000023,1.7814000000000005,120.9,8,35,3,6,0.5113294702072418
3vj6,1.9,2012,ALA-LEU,P,1-9,kd,=,17.0,uM,-4.769551078621726,MOAD,Kd=17.0uM,P06339,"H-2 class I histocompatibility antigen, D-37 alpha chain",CSCC[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])[C@@H](C)O,986.2719999999999,-5.5130000000000186,375.6499999999999,30,68,12,12,0.01816495073226151
3vy6,2.0,2013,BGC-BGC,B,1-2,kd,=,7.0,mM,-2.154901959985743,MOAD,Kd=7.0mM,O60844,Zymogen granule membrane protein 16,OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,342.297,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
3vze,1.9,2013,MAN-MAN,B,1-2,kd,=,13.0,mM,-1.8860566476931635,MOAD,Kd=13.0mM,O60844,Zymogen granule membrane protein 16,OC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H](CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
3wud,1.68,2015,GLC-GAL,B,1-2,kd,=,41.0,uM,-4.3872161432802645,MOAD,Kd=41.0uM,Q98UD4,Galectin,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
3x00,1.3,2015,ZOF-EDN,A,201-202,kd,=,0.83,nM,-9.080921907623926,MOAD,Kd=0.83nM,"P22629,P22629,P22629,P22629","Streptavidin,Streptavidin,Streptavidin,Streptavidin",[NH2+]=C1N[C@H]2[C@H](CS[C@H]2CCCCC(=O)NCCCCCC(=O)NCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=[NH2+])N[C@@H]32)N1,739.0699999999999,-1.9862000000000055,215.70000000000002,25,50,10,6,0.04660200609114296
3x00,1.3,2015,ZOF-ZOF,B,201-201,kd,=,0.83,nM,-9.080921907623926,MOAD,Kd=0.83nM,"P22629,P22629,P22629,P22629","Streptavidin,Streptavidin,Streptavidin,Streptavidin",[NH2+]=C1N[C@H]2[C@H](CS[C@H]2CCCCC(=O)NCCCCCC(=O)NCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=[NH2+])N[C@@H]32)N1,739.0699999999998,-1.9862000000000055,215.70000000000002,25,50,10,6,0.04660200609114296
3zkl,2.397,2013,XYP-XYP,B,1-3,kd,=,6.4e-08,M,-7.1938200260161125,MOAD,Kd=6.4e-08M,C6A6Z1,PUTATIVE SUGAR TRANSPORTER SOLUTE-BINDING PROTEIN,O[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)OC[C@H]1O,414.3600000000001,-5.655699999999991,207.98999999999995,4,28,8,13,0.21597074478389294
3zsj,0.86,2011,BGC-GAL,B,1-2,kd,=,231.0,uM,-3.636388020107856,MOAD,Kd=231.0uM,P17931,GALECTIN-3,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
4al9,1.75,2013,GLC-GLA,I,1-2,kd,=,38.8,uM,-4.411168274405792,MOAD,Kd=38.8uM,Q05097,PA-I GALACTOPHILIC LECTIN,OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
4al9,1.75,2013,GLC-GLA,J,1-2,kd,=,38.8,uM,-4.411168274405792,MOAD,Kd=38.8uM,Q05097,PA-I GALACTOPHILIC LECTIN,OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
4apo,1.895,2013,ALA-GLU,D,1-6,kd,=,12.3,uM,-4.910094888560602,MOAD,Kd=12.3uM,O00170,AH RECEPTOR-INTERACTING PROTEIN,CC(C)[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],672.6010000000001,-11.213100000000013,373.7899999999999,22,47,6,15,0.062146975037523734
4apo,1.895,2013,ALA-GLU,E,1-6,kd,=,12.3,uM,-4.910094888560602,MOAD,Kd=12.3uM,O00170,AH RECEPTOR-INTERACTING PROTEIN,CC(C)[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],672.6010000000001,-11.213100000000013,373.7899999999999,22,47,6,15,0.062146975037523734
4ayp,0.85,2013,Z5L-MAN,B,1-2,kd,=,755.0,nM,-6.122053048370812,MOAD,Kd=755.0nM,B0SWV2,"MANNOSYL-OLIGOSACCHARIDE 1,2-ALPHA-MANNOSIDASE",CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1S[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O,372.3920000000001,-4.026499999999998,169.29999999999998,5,24,7,11,0.250759775697843
4b3b,1.193,2013,ACE-NH2,C,0-5,kd,=,250.0,uM,-3.6020599913279625,MOAD,Kd=250.0uM,O74036,DNA REPAIR AND RECOMBINATION PROTEIN RADA,CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)[C@@H](C)O,515.5710000000001,-1.9599999999999955,208.4,13,37,7,7,0.15999395465752234
4bh1,2.15,2013,NAG-SIA,G,1-3,kd,=,1.1,mM,-2.958607314841775,MOAD,Kd=1.1mM,"Q207Z6,Q207Z6","HEMAGGLUTININ,HEMAGGLUTININ",CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H](CO)O[C@H]1O,673.5980000000006,-9.414300000000017,346.78000000000003,12,46,12,19,0.09142728679765473
4bh1,2.15,2013,NAG-SIA,H,1-3,kd,=,1.1,mM,-2.958607314841775,MOAD,Kd=1.1mM,"Q207Z6,Q207Z6","HEMAGGLUTININ,HEMAGGLUTININ",CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H](CO)O[C@H]1O,673.5980000000006,-9.414300000000017,346.78000000000003,12,46,12,19,0.09142728679765473
4bh1,2.15,2013,NAG-SIA,I,1-3,kd,=,1.1,mM,-2.958607314841775,MOAD,Kd=1.1mM,"Q207Z6,Q207Z6","HEMAGGLUTININ,HEMAGGLUTININ",CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H](CO)O[C@H]1O,673.5980000000006,-9.414300000000017,346.78000000000003,12,46,12,19,0.09142728679765473
4bh3,2.0,2013,NAG-SIA,D,1-3,kd,=,12.0,mM,-1.9208187539523751,MOAD,Kd=12.0mM,"Q5EP31,Q5EP31","HEMAGGLUTININ,HEMAGGLUTININ",CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O,673.5980000000006,-9.414300000000017,346.78000000000003,12,46,12,19,0.09142728679765473
4bh4,1.9,2013,NAG-SIA,D,1-3,kd,=,32.0,mM,-1.494850021680094,MOAD,Kd=32.0mM,"Q5EP31,Q5EP31","HEMAGGLUTININ,HEMAGGLUTININ",CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H](CO)O[C@H]1O,673.5980000000006,-9.414300000000017,346.78000000000003,12,46,12,19,0.09142728679765473
4bmb,1.351,2014,BGC-GAL,B,1-2,kd,=,7.692307692307693e-05,M,-4.113943352306837,MOAD,Ka=13000.0M^-1,O00214,GALECTIN-8,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
4bme,2.0,2014,GLC-GAL,C,1-2,kd,=,7.692307692307693e-05,M,-4.113943352306837,MOAD,Ka=13000.0M^-1,O00214,GALECTIN-8,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
4bme,2.0,2014,GLC-GAL,D,1-2,kd,=,7.692307692307693e-05,M,-4.113943352306837,MOAD,Ka=13000.0M^-1,O00214,GALECTIN-8,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
4bt9,1.9,2013,PRO-GLY,C,1-9,kd,=,143.5,uM,-3.843148098929989,MOAD,Kd=143.5uM,P13674,PROLYL 4-HYDROXYLASE SUBUNIT ALPHA-1,O=C([O-])CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1,771.8729999999998,-5.23430000000001,245.59,12,55,4,10,0.14693486551575158
4btb,1.899,2013,PRO-PRO,C,0-8,kd,=,9.8,uM,-5.008773924307505,MOAD,Kd=9.8uM,P13674,PROLYL 4-HYDROXYLASE SUBUNIT ALPHA-1,O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1,892.0679999999995,-2.6098999999999997,219.22000000000003,9,64,1,10,0.25446711695041135
4dfw,1.55,2012,ACE-NH2,D,1-7,ic50,=,0.014,uM,-7.853871964321762,MOAD,ic50=0.014uM,P53350,Serine/threonine-protein kinase PLK1,CC(=O)N1C[C@H](OCCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)[C@@H](C)OP(=O)([O-])[O-],820.8380000000002,-2.322199999999997,310.35999999999996,23,57,7,13,0.04581608543516863
4dv9,2.076,2013,2OP-PLJ,B,1-8,ic50,=,189.0,nM,-6.723538195826755,MOAD,ic50=189.0nM,P56817,Beta-secretase 1,COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@@H](NC(=O)[C@H](C)O)C(C)C,979.1859999999996,0.3483000000000116,287.18,26,70,7,12,0.06293514570998107
4dvf,1.803,2013,QSC-PLJ,C,1-7,ic50,=,128.0,nM,-6.892790030352131,MOAD,ic50=128.0nM,P56817,Beta-secretase 1,COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)cc(C(=O)N[C@H](C)c2ccccc2)c1,1010.2239999999996,3.910500000000007,249.72,23,72,6,11,0.05817711691239596
4dvf,1.803,2013,QSC-PLJ,D,1-7,ic50,=,128.0,nM,-6.892790030352131,MOAD,ic50=128.0nM,P56817,Beta-secretase 1,COC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)cc(C(=O)N[C@H](C)c2ccccc2)c1,1010.2239999999996,3.910500000000007,249.72,23,72,6,11,0.05817711691239596
4dxg,2.5,2012,NDG-FUC,B,1-4,kd,=,87.0,nM,-7.060480747381382,MOAD,Kd=87.0nM,A0A0H3K6A3,Staphylococcal enterotoxin-like toxin,CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H](CO)O[C@@H]1O,819.7400000000008,-10.562500000000021,405.7000000000001,14,56,14,23,0.07733992021607045
4er2,2.0,1991,IVA-STA,I,1-6,ki,=,0.5,nM,-9.30102999566398,MOAD,Ki=0.5nM,P11838,ENDOTHIAPEPSIN,CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)[O-])C(C)C)C(C)C,684.8960000000002,0.13250000000000856,226.09,22,48,7,9,0.0821679303830404
4ezr,1.9,2013,SER-VAL,B,12-19,kd,=,6.3,uM,-5.200659450546418,MOAD,Kd=6.3uM,P0A6Y8,Chaperone protein DnaK,CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)[O-])C(C)C,963.1559999999996,-9.699799999999982,430.07999999999987,27,68,14,11,0.02212478891040686
4ezw,1.8,2013,ASN-GLY,E,1-7,kd,=,1.0,uM,-6.0,MOAD,Kd=1.0uM,P0A6Y8,Chaperone protein DnaK,CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)[O-])[C@@H](C)O,786.9530000000001,-7.274900000000019,369.33,26,55,12,10,0.022111289953234334
4ezw,1.8,2013,ASN-GLY,F,1-7,kd,=,1.0,uM,-6.0,MOAD,Kd=1.0uM,"P0A6Y8,P0A6Y8","Chaperone protein DnaK,Chaperone protein DnaK",CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)[O-])[C@@H](C)O,786.9530000000001,-7.274900000000019,369.33,26,55,12,10,0.022111289953234334
4ezw,1.8,2013,ASN-GLY,G,1-7,kd,=,1.0,uM,-6.0,MOAD,Kd=1.0uM,"P0A6Y8,P0A6Y8","Chaperone protein DnaK,Chaperone protein DnaK",CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)[O-])[C@@H](C)O,786.9530000000001,-7.274900000000019,369.33,26,55,12,10,0.022111289953234334
4ezw,1.8,2013,ASN-GLY,H,1-7,kd,=,1.0,uM,-6.0,MOAD,Kd=1.0uM,P0A6Y8,Chaperone protein DnaK,CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)[O-])[C@@H](C)O,786.9530000000001,-7.274900000000019,369.33,26,55,12,10,0.022111289953234334
4ezx,1.7,2013,ASN-GLY,C,1-7,kd,=,1.6,uM,-5.795880017344075,MOAD,Kd=1.6uM,"P0A6Y8,P0A6Y8","Chaperone protein DnaK,Chaperone protein DnaK",CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)[O-])[C@@H](C)O,804.993,-7.567900000000023,369.33,27,55,12,11,0.020887084082886403
4ezx,1.7,2013,ASN-GLY,D,1-7,kd,=,1.6,uM,-5.795880017344075,MOAD,Kd=1.6uM,"P0A6Y8,P0A6Y8","Chaperone protein DnaK,Chaperone protein DnaK",CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(=O)[O-])[C@@H](C)O,804.993,-7.567900000000023,369.33,27,55,12,11,0.020887084082886403
4ezz,2.05,2013,GLU-ILE,B,1-7,kd,=,6.4,uM,-5.1938200260161125,MOAD,Kd=6.4uM,P0A6Y8,Chaperone protein DnaK,CC[C@H](C)[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(C)C)C(=O)[O-],811.0349999999999,-3.501600000000013,301.34999999999997,26,57,7,10,0.042313841563518584
4fys,2.01,2012,VAL-PHE,C,1-6,kd,=,15.0,uM,-4.823908740944319,MOAD,Kd=15.0uM,P15144,Aminopeptidase N,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-],774.92,-0.8640999999999872,253.39,19,56,7,9,0.07989678625527313
4gvu,1.55,2013,6NA-VAL,B,1-8,ic50,=,30.0,nM,-7.522878745280337,MOAD,ic50=30.0nM,P00772,Chymotrypsin-like elastase family member 1,C/C=C1\NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CCCCC)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC1=O,947.1,0.7201000000000135,295.96999999999997,15,68,8,12,0.06966843144417324
4hap,1.6,2013,BGC-BGC,C,1-2,ki,=,1.4,mM,-2.853871964321762,MOAD,Ki=1.4mM,D4HRL0,GH7 family protein,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.297,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
4hap,1.6,2013,BGC-BGC,D,1-2,ki,=,1.4,mM,-2.853871964321762,MOAD,Ki=1.4mM,D4HRL0,GH7 family protein,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.297,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
4hxj,2.0,2012,ARG-THR,C,760-762,kd,~,74.3,uM,-4.129011186239425,MOAD,Kd~74.3uM,"P12931,P12931","Proto-oncogene tyrosine-protein kinase Src,Proto-oncogene tyrosine-protein kinase Src",C[C@@H](O)[C@H](NC(=O)CNC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)[O-],333.3690000000001,-7.227800000000005,209.83999999999997,10,23,7,5,0.11640721604347415
4in9,1.55,2013,SER-PRO,B,1-4,ki,=,10.7,uM,-4.97061622231479,MOAD,Ki=10.7uM,D0EM77,Karilysin protease,[NH3+][C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-],535.6010000000002,-1.733599999999991,182.29999999999998,11,39,5,6,0.1943126167942353
4j44,1.3,2013,ALA-VAL,B,1-4,ki,=,1.87,uM,-5.7281583934635005,MOAD,Ki=1.87uM,P98170,E3 ubiquitin-protein ligase XIAP,CC[C@H](C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C,372.46600000000007,-2.456899999999994,155.07,10,26,4,5,0.3347380387398853
4j45,1.48,2013,ALA-ALA,B,1-4,ki,=,1.7,uM,-5.769551078621726,MOAD,Ki=1.7uM,P98170,E3 ubiquitin-protein ligase XIAP,C[C@H]([NH3+])C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])[C@@H](C)O,332.3570000000001,-4.758299999999996,175.3,8,23,5,6,0.29794520745946285
4j46,1.42,2013,ALA-ILE,B,1-4,ki,=,5.24,uM,-5.280668713016273,MOAD,Ki=5.24uM,P98170,E3 ubiquitin-protein ligase XIAP,CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)[NH3+])C(C)C)C(=O)[O-],398.50400000000013,-1.9705999999999932,146.28,9,28,3,5,0.41222035512179783
4j47,1.35,2013,SER-ILE,B,1-4,ki,=,12.02,uM,-4.92009553233328,MOAD,Ki=12.02uM,P98170,E3 ubiquitin-protein ligase XIAP,CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]([NH3+])CO)C(C)C)C(=O)[O-],414.5030000000002,-2.9981999999999918,166.51,10,29,4,6,0.2971887249785106
4jc1,1.5,2013,YIO-GAL,C,1-2,kd,=,50.0,uM,-4.301029995663981,MOAD,Kd=50.0uM,P17931,Galectin-3,OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,358.3650000000001,-4.680599999999994,180.29999999999998,4,23,8,11,0.24185277536552569
4jck,1.15,2013,TWJ-SDY,C,1-2,kd,=,4.3,mM,-2.3665315444204134,MOAD,Kd=4.3mM,P17931,Galectin-3,OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O,358.3650000000001,-4.680599999999993,180.29999999999998,4,23,8,11,0.24185277536552569
4jfd,2.46,2013,GLU-VAL,C,1-10,kd,=,36.0,uM,-4.443697499232712,MOAD,Kd=36.0uM,"P01848,P01850,P04439","High Affinity TCR Alpha Chain,High Affinity TCR Beta Chain,HLA class I histocompatibility antigen, A-2 alpha chain",CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CCC(=O)[O-])[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)[C@@H](C)O,998.2099999999998,-4.867500000000022,390.0299999999999,32,70,11,14,0.030134858178165237
4jff,2.43,2013,GLU-VAL,C,1-10,kd,=,600.0,pM,-9.221848749616356,MOAD,Kd=600.0pM,"P01848,P01850,P04439","High Affinity TCR Alpha Chain,High Affinity TCR Beta Chain,HLA class I histocompatibility antigen, A-2 alpha chain",CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)[C@@H](C)O)[C@@H](C)CC,984.1829999999999,-5.2560000000000215,390.0299999999999,32,69,11,14,0.030030592294609
4jfo,2.11,2013,ALA-VAL,C,1-10,kd,=,140.0,uM,-3.853871964321762,MOAD,Kd=140.0uM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)[NH3+])C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)[C@@H](C)O)[C@@H](C)CC,927.155,-3.766200000000012,349.8999999999999,29,65,11,12,0.034473143813951924
4jfo,2.11,2013,ALA-VAL,F,1-10,kd,=,140.0,uM,-3.853871964321762,MOAD,Kd=140.0uM,"P04439,P04439","HLA class I histocompatibility antigen, A-2 alpha chain,HLA class I histocompatibility antigen, A-2 alpha chain",CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)[NH3+])C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)[C@@H](C)O)[C@@H](C)CC,927.155,-3.766200000000012,349.8999999999999,29,65,11,12,0.034473143813951924
4joe,1.14,2014,ALA-ILE,C,1-10,ki,=,275.0,uM,-3.560667306169737,MOAD,Ki=275.0uM,"Q9HD26,Q9HD26","Golgi-associated PDZ and coiled-coil motif-containing protein,Golgi-associated PDZ and coiled-coil motif-containing protein",CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])[C@@H](C)O)[C@@H](C)CC)C(=O)[O-],1030.1719999999998,-10.967399999999982,488.29999999999984,31,72,16,15,0.01741582086602931
4joe,1.14,2014,ALA-ILE,D,1-10,ki,=,275.0,uM,-3.560667306169737,MOAD,Ki=275.0uM,Q9HD26,Golgi-associated PDZ and coiled-coil motif-containing protein,CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])[C@@H](C)O)[C@@H](C)CC)C(=O)[O-],1030.1719999999998,-10.967399999999982,488.29999999999984,31,72,16,15,0.01741582086602931
4k3o,2.0,2013,ACE-PHE,E,-1-4,kd,=,36.7,uM,-4.435333935747911,MOAD,Kd=36.7uM,P0A988,DNA polymerase III subunit beta,CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-],632.6710000000003,-4.1056000000000035,268.84999999999997,19,45,6,10,0.08576010046210163
4k3p,2.15,2013,ACE-PHE,E,-1-4,kd,=,1.6,uM,-5.795880017344075,MOAD,Kd=1.6uM,P0A988,DNA polymerase III subunit beta,CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-],631.7510000000002,-1.1994999999999896,228.72,19,45,6,8,0.10837050394638832
4k3q,1.85,2013,ACE-PHE,E,-1-4,kd,=,115.1,uM,-3.938924676370208,MOAD,Kd=115.1uM,P0A988,DNA polymerase III subunit beta,CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-],632.6710000000002,-4.1056000000000035,268.84999999999997,19,45,6,10,0.08576010046210163
4k3r,1.86,2013,ACE-ALA,E,-1-4,kd,=,259.1,uM,-3.586532587014175,MOAD,Kd=259.1uM,P0A988,DNA polymerase III subunit beta,CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)[O-],598.6540000000003,-4.3022,268.84999999999997,19,42,6,10,0.08320563596399204
4k78,1.8,2014,ALA-LEU,B,1-10,ki,=,16.2,uM,-4.790484985457369,MOAD,Ki=16.2uM,Q9HD26,Golgi-associated PDZ and coiled-coil motif-containing protein,CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+])[C@@H](C)O)C(=O)[O-],1247.3600000000004,-14.958799999999906,639.5099999999998,40,88,21,17,0.016734283961772116
4k79,2.2,2013,A2G-GAL,E,1-2,kd,=,4.524886877828054e-05,M,-4.344392273685111,MOAD,Ka=22100.0M^-1,"K0IE77,K0IE77","Variable lymphocyte receptor,Variable lymphocyte receptor",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@@H]1O,383.3500000000001,-5.253399999999992,198.39999999999995,5,26,8,11,0.2255562159466081
4k79,2.2,2013,A2G-GAL,F,1-2,kd,=,4.524886877828054e-05,M,-4.344392273685111,MOAD,Ka=22100.0M^-1,"K0IE77,K0IE77","Variable lymphocyte receptor,Variable lymphocyte receptor",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@@H]1O,383.3500000000001,-5.253399999999992,198.39999999999995,5,26,8,11,0.2255562159466081
4k79,2.2,2013,A2G-GAL,G,1-2,kd,=,4.524886877828054e-05,M,-4.344392273685111,MOAD,Ka=22100.0M^-1,"K0IE77,K0IE77","Variable lymphocyte receptor,Variable lymphocyte receptor",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@@H]1O,383.3500000000001,-5.253399999999992,198.39999999999995,5,26,8,11,0.2255562159466081
4lkl,1.58,2013,ACE-ADM,B,2-101,ic50,=,0.82,uM,-6.086186147616283,MOAD,ic50=0.82uM,P53350,Serine/threonine-protein kinase PLK1,CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)C[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)[C@@H](C)OP(=O)([O-])[O-])C(N)=O,938.0549999999996,-1.515699999999999,330.2299999999999,24,64,8,14,0.0546755935558724
4lo2,2.254,2013,BGC-GAL,D,1-2,kd,~,1.0,mM,-3.0,MOAD,Kd~1.0mM,Q45871,HA-33,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
4lo2,2.254,2013,BGC-GAL,E,1-2,kd,~,1.0,mM,-3.0,MOAD,Kd~1.0mM,Q45871,HA-33,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
4lo3,2.249,2013,NDG-GAL,D,1-2,kd,~,1.0,mM,-3.0,MOAD,Kd~1.0mM,Q45871,HA-33,CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1O,383.35000000000014,-5.253399999999992,198.39999999999998,5,26,8,11,0.2255562159466081
4lo3,2.249,2013,NDG-GAL,E,1-2,kd,~,1.0,mM,-3.0,MOAD,Kd~1.0mM,Q45871,HA-33,CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1O,383.35000000000014,-5.253399999999992,198.39999999999998,5,26,8,11,0.2255562159466081
4lp9,1.35,2014,SER-PRO,I,400-406,ic50,=,0.62,uM,-6.207608310501746,MOAD,ic50=0.62uM,P11838,Endothiapepsin,CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C[NH2+][C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])[C@@H](C)O)Cc1ccccc1,998.1719999999997,-3.487500000000007,339.56,27,72,11,12,0.027763014287170335
4mn3,1.542,2014,ACE-NH2,B,1-7,kd,=,1.77,uM,-5.752026733638194,MOAD,Kd=1.77uM,O95931,Chromobox protein homolog 7,CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(N)=O,698.8420000000001,-1.0046999999999908,229.04999999999998,20,50,8,8,0.06300907916136361
4nxr,1.9,2015,ASN-VAL,B,1-8,kd,=,46.0,uM,-4.337242168318426,MOAD,Kd=46.0uM,Q13009,T-lymphoma invasion and metastasis-inducing protein 1,CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])CC(N)=O)C(=O)[O-],1058.157,-9.337100000000005,490.5599999999999,35,75,13,16,0.02852120080248606
4o2c,1.802,2014,ACE-LEU,C,0-9,ic50,=,10.0,nM,-8.0,MOAD,ic50=10.0nM,"P61769,P01889","Beta-2-microglobulin,HLA class I histocompatibility antigen, B-39 alpha chain",CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])C(C)C)C(C)C,979.0589999999996,-7.119100000000021,434.15999999999985,30,69,12,16,0.03407972379995679
4omc,2.3,2014,2UC-00S,H,1-5,ki,=,16.7,pM,-10.777283528852417,MOAD,Ki=16.7pM,"P09958,P09958","Furin,Furin",CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1cccc(CNC(N)=[NH2+])c1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1,753.9579999999996,-8.8291,358.9299999999999,22,54,15,4,0.030405592253713976
4omc,2.3,2014,2UC-00S,I,1-5,ki,=,16.7,pM,-10.777283528852417,MOAD,Ki=16.7pM,"P09958,P09958","Furin,Furin",CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1cccc(CNC(N)=[NH2+])c1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1,753.9579999999996,-8.8291,358.9299999999999,22,54,15,4,0.030405592253713976
4omc,2.3,2014,2UC-00S,J,1-5,ki,=,16.7,pM,-10.777283528852417,MOAD,Ki=16.7pM,"P09958,P09958,P09958","Furin,Furin,Furin",CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1cccc(CNC(N)=[NH2+])c1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1,753.9579999999996,-8.8291,358.9299999999999,22,54,15,4,0.030405592253713976
4omc,2.3,2014,2UC-00S,K,1-5,ki,=,16.7,pM,-10.777283528852417,MOAD,Ki=16.7pM,"P09958,P09958","Furin,Furin",CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1cccc(CNC(N)=[NH2+])c1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1,753.9579999999996,-8.8291,358.9299999999999,22,54,15,4,0.030405592253713976
4omc,2.3,2014,2UC-00S,L,1-5,ki,=,16.7,pM,-10.777283528852417,MOAD,Ki=16.7pM,"P09958,P09958","Furin,Furin",CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1cccc(CNC(N)=[NH2+])c1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1,753.9579999999996,-8.8291,358.9299999999999,22,54,15,4,0.030405592253713976
4omc,2.3,2014,2UC-00S,N,1-5,ki,=,16.7,pM,-10.777283528852417,MOAD,Ki=16.7pM,"P09958,P09958,P09958","Furin,Furin,Furin",CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1cccc(CNC(N)=[NH2+])c1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1,753.9579999999996,-8.8291,358.9299999999999,22,54,15,4,0.030405592253713976
4ouj,1.46,2014,GLC-GAL,C,1-2,kd,=,1.39,mM,-2.856985199745905,MOAD,Kd=1.39mM,"B1INP8,B1INP8","Hemagglutinin component HA33,Hemagglutinin component HA33",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
4ouj,1.46,2014,GLC-GAL,D,1-2,kd,=,1.39,mM,-2.856985199745905,MOAD,Kd=1.39mM,"B1INP8,B1INP8","Hemagglutinin component HA33,Hemagglutinin component HA33",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
4pft,1.747,2014,BMA-BMA,C,1-2,kd,=,0.0023,uM,-8.638272163982407,MOAD,Kd=0.0023uM,Q9X0V0,ABC transporter substrate-binding protein,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
4pft,1.747,2014,BMA-BMA,D,1-2,kd,=,0.0023,uM,-8.638272163982407,MOAD,Kd=0.0023uM,Q9X0V0,ABC transporter substrate-binding protein,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
4pfu,2.049,2014,BMA-BMA,C,1-2,kd,=,0.67,uM,-6.173925197299173,MOAD,Kd=0.67uM,G4FEC0,ABC transporter substrate-binding protein,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
4pfu,2.049,2014,BMA-BMA,D,1-2,kd,=,0.67,uM,-6.173925197299173,MOAD,Kd=0.67uM,G4FEC0,ABC transporter substrate-binding protein,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
4q4i,2.31,2015,L2O-ASP,C,1-4,ic50,=,0.047,uM,-7.327902142064282,MOAD,ic50=0.047uM,P04825,Aminopeptidase N,CC(C)C[C@@H]([NH3+])[C@H](O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])C(C)C)C(C)C,473.54700000000025,-4.339799999999996,215.42999999999998,14,33,5,8,0.16567638757302217
4qrq,1.7,2014,HIS-LEU,C,1-9,kd,=,2.48,uM,-5.605548319173784,MOAD,Kd=2.48uM,"P61769,P01889","Beta-2-microglobulin,HLA class I histocompatibility antigen, B-8 alpha chain",CC(C)C[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CS)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])Cc1c[nH]cn1)C(=O)[O-],1088.2769999999996,-11.934099999999958,512.6599999999999,40,75,15,17,0.02143649864253195
4rcp,1.6,2014,ACE-NH2,B,1-5,ic50,=,4.42,uM,-5.354577730650908,MOAD,ic50=4.42uM,P53350,Serine/threonine-protein kinase PLK1,CC(=O)N[C@@H](Cc1cncn1CCCCCCCCc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)[C@@H](C)OP(=O)([O-])[O-],650.6700000000001,-0.8053999999999928,240.86,21,45,5,11,0.08316012372183232
4ryd,2.15,2015,2UE-00S,H,1-5,ki,=,0.0055,nM,-11.259637310505756,MOAD,Ki=0.0055nM,"P09958,P09958","Furin,Furin",CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1ccc(CNC(N)=[NH2+])cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1,767.9849999999996,-8.439000000000002,358.9299999999999,21,55,15,4,0.03212608035673553
4ryd,2.15,2015,2UE-00S,I,1-5,ki,=,0.0055,nM,-11.259637310505756,MOAD,Ki=0.0055nM,"P09958,P09958","Furin,Furin",CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1ccc(CNC(N)=[NH2+])cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1,767.9849999999996,-8.439000000000002,358.9299999999999,21,55,15,4,0.03212608035673553
4ryd,2.15,2015,2UE-00S,J,1-5,ki,=,0.0055,nM,-11.259637310505756,MOAD,Ki=0.0055nM,"P09958,P09958,P09958","Furin,Furin,Furin",CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1ccc(CNC(N)=[NH2+])cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1,767.9849999999996,-8.439000000000002,358.9299999999999,21,55,15,4,0.03212608035673553
4ryd,2.15,2015,2UE-00S,K,1-5,ki,=,0.0055,nM,-11.259637310505756,MOAD,Ki=0.0055nM,"P09958,P09958","Furin,Furin",CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1ccc(CNC(N)=[NH2+])cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1,767.9849999999996,-8.439000000000002,358.9299999999999,21,55,15,4,0.03212608035673553
4ryd,2.15,2015,2UE-00S,L,1-5,ki,=,0.0055,nM,-11.259637310505756,MOAD,Ki=0.0055nM,"P09958,P09958","Furin,Furin",CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1ccc(CNC(N)=[NH2+])cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1,767.9849999999996,-8.439000000000002,358.9299999999999,21,55,15,4,0.03212608035673553
4ryd,2.15,2015,2UE-00S,N,1-5,ki,=,0.0055,nM,-11.259637310505756,MOAD,Ki=0.0055nM,"P09958,P09958,P09958","Furin,Furin,Furin",CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1ccc(CNC(N)=[NH2+])cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1,767.9849999999996,-8.439000000000002,358.9299999999999,21,55,15,4,0.03212608035673553
4sga,1.8,1991,ACE-PHE,P,5-1,ki,=,50.0,nM,-7.301029995663981,MOAD,Ki=50.0nM,P00776,PROTEINASE A (SGPA),CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-],471.5340000000003,-1.029599999999995,138.95,8,34,2,6,0.4971454124260275
4tsz,2.0,2014,ACE-ZCL,0,467-472,kd,=,99.0,nM,-7.00436480540245,MOAD,Kd=99.0nM,"Q9I7C4,Q9I7C4","DNA polymerase III subunit beta,DNA polymerase III subunit beta",CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-],783.7070000000002,-0.8482999999999903,268.84999999999997,21,53,6,10,0.08994709551303606
4tsz,2.0,2014,ACE-ZCL,1,467-472,kd,=,99.0,nM,-7.00436480540245,MOAD,Kd=99.0nM,Q9I7C4,DNA polymerase III subunit beta,CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-],783.7070000000002,-0.8482999999999903,268.84999999999997,21,53,6,10,0.08994709551303606
4tsz,2.0,2014,ACE-ZCL,2,467-472,kd,=,99.0,nM,-7.00436480540245,MOAD,Kd=99.0nM,Q9I7C4,DNA polymerase III subunit beta,CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-],783.7070000000002,-0.8482999999999903,268.84999999999997,21,53,6,10,0.08994709551303606
4tsz,2.0,2014,ACE-ZCL,3,467-472,kd,=,99.0,nM,-7.00436480540245,MOAD,Kd=99.0nM,Q9I7C4,DNA polymerase III subunit beta,CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-],783.7070000000002,-0.8482999999999903,268.84999999999997,21,53,6,10,0.08994709551303606
4tsz,2.0,2014,ACE-ZCL,4,467-472,kd,=,99.0,nM,-7.00436480540245,MOAD,Kd=99.0nM,Q9I7C4,DNA polymerase III subunit beta,CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-],783.7070000000002,-0.8482999999999903,268.84999999999997,21,53,6,10,0.08994709551303606
4tsz,2.0,2014,ACE-ZCL,5,467-472,kd,=,99.0,nM,-7.00436480540245,MOAD,Kd=99.0nM,"Q9I7C4,Q9I7C4","DNA polymerase III subunit beta,DNA polymerase III subunit beta",CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-],783.7070000000002,-0.8482999999999903,268.84999999999997,21,53,6,10,0.08994709551303606
4tsz,2.0,2014,ACE-ZCL,6,467-472,kd,=,99.0,nM,-7.00436480540245,MOAD,Kd=99.0nM,Q9I7C4,DNA polymerase III subunit beta,CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-],783.7070000000002,-0.8482999999999903,268.84999999999997,21,53,6,10,0.08994709551303606
4tsz,2.0,2014,ACE-ZCL,Q,467-472,kd,=,99.0,nM,-7.00436480540245,MOAD,Kd=99.0nM,Q9I7C4,DNA polymerase III subunit beta,CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-],783.7070000000002,-0.8482999999999903,268.84999999999997,21,53,6,10,0.08994709551303606
4tsz,2.0,2014,ACE-ZCL,R,467-472,kd,=,99.0,nM,-7.00436480540245,MOAD,Kd=99.0nM,"Q9I7C4,Q9I7C4","DNA polymerase III subunit beta,DNA polymerase III subunit beta",CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-],783.7070000000002,-0.8482999999999903,268.84999999999997,21,53,6,10,0.08994709551303606
4tsz,2.0,2014,ACE-ZCL,S,467-472,kd,=,99.0,nM,-7.00436480540245,MOAD,Kd=99.0nM,"Q9I7C4,Q9I7C4","DNA polymerase III subunit beta,DNA polymerase III subunit beta",CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-],783.7070000000002,-0.8482999999999903,268.84999999999997,21,53,6,10,0.08994709551303606
4tsz,2.0,2014,ACE-ZCL,T,467-472,kd,=,99.0,nM,-7.00436480540245,MOAD,Kd=99.0nM,Q9I7C4,DNA polymerase III subunit beta,CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-],783.7070000000002,-0.8482999999999903,268.84999999999997,21,53,6,10,0.08994709551303606
4tsz,2.0,2014,ACE-ZCL,U,467-472,kd,=,99.0,nM,-7.00436480540245,MOAD,Kd=99.0nM,"Q9I7C4,Q9I7C4","DNA polymerase III subunit beta,DNA polymerase III subunit beta",CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-],783.7070000000002,-0.8482999999999903,268.84999999999997,21,53,6,10,0.08994709551303606
4tsz,2.0,2014,ACE-ZCL,V,467-472,kd,=,99.0,nM,-7.00436480540245,MOAD,Kd=99.0nM,Q9I7C4,DNA polymerase III subunit beta,CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-],783.7070000000002,-0.8482999999999903,268.84999999999997,21,53,6,10,0.08994709551303606
4tsz,2.0,2014,ACE-ZCL,X,467-472,kd,=,99.0,nM,-7.00436480540245,MOAD,Kd=99.0nM,Q9I7C4,DNA polymerase III subunit beta,CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-],783.7070000000002,-0.8482999999999903,268.84999999999997,21,53,6,10,0.08994709551303606
4tsz,2.0,2014,ACE-ZCL,Y,467-472,kd,=,99.0,nM,-7.00436480540245,MOAD,Kd=99.0nM,"Q9I7C4,Q9I7C4","DNA polymerase III subunit beta,DNA polymerase III subunit beta",CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-],783.7070000000002,-0.8482999999999903,268.84999999999997,21,53,6,10,0.08994709551303606
4tsz,2.0,2014,ACE-ZCL,Z,467-472,kd,=,99.0,nM,-7.00436480540245,MOAD,Kd=99.0nM,Q9I7C4,DNA polymerase III subunit beta,CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-],783.7070000000002,-0.8482999999999903,268.84999999999997,21,53,6,10,0.08994709551303606
4u31,1.849,2015,GPM-GLC,C,1-2,ic50,=,102.0,uM,-3.9913998282380825,MOAD,ic50=102.0uM,"Q9L1K2,Q9L1K2","Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1,Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1",O=P([O-])([O-])C[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,418.28800000000007,-6.433299999999992,232.48999999999995,6,27,7,13,0.19907165975576466
4u31,1.849,2015,GPM-GLC,D,1-2,ic50,=,102.0,uM,-3.9913998282380825,MOAD,ic50=102.0uM,"Q9L1K2,Q9L1K2","Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1,Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1",O=P([O-])([O-])C[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O,418.28800000000007,-6.433299999999992,232.48999999999995,6,27,7,13,0.19907165975576466
4wdi,2.313,2015,LEU-GLY,C,1-9,kd,=,286.0,uM,-3.543633966870957,MOAD,Kd=286.0uM,"P01902,P61769,P01902","H-2 class I histocompatibility antigen, K-D alpha chain,Beta-2-microglobulin,H-2 class I histocompatibility antigen, K-D alpha chain",CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)[O-])C(C)C,1009.1979999999995,-7.912000000000018,424.5699999999998,32,70,14,14,0.013801228785673199
4wdi,2.313,2015,LEU-GLY,F,1-9,kd,=,286.0,uM,-3.543633966870957,MOAD,Kd=286.0uM,"P01902,P61769","H-2 class I histocompatibility antigen, K-D alpha chain,Beta-2-microglobulin",CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)[O-])C(C)C,1009.1979999999995,-7.912000000000014,424.5699999999999,32,70,14,14,0.013801228785673199
4whh,1.9,2014,QAC-NH2,B,1-5,ic50,=,0.04,uM,-7.397940008672037,MOAD,ic50=0.04uM,P53350,Serine/threonine-protein kinase PLK1,C[C@@H](OP(=O)([O-])[O-])[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cncn1CCCCCCCCc1ccccc1)NC(=O)CCNC(=O)c1ccc(CO)cc1)C(N)=O,813.8460000000003,-0.5128999999999917,290.19,26,57,7,13,0.039856579356987484
4wj5,1.65,2014,GRN-LPH,C,0-9,ic50,=,0.51,uM,-6.292429823902063,MOAD,ic50=0.51uM,"P61769,P04439","Beta-2-microglobulin,HLA class I histocompatibility antigen, A-2 alpha chain",C#CC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](CCC)NC(=O)[C@](C)([NH3+])c1ccccc1)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)[O-],985.1939999999998,-3.118000000000011,349.8999999999999,30,70,11,12,0.03415138151335304
4wj5,1.65,2014,GRN-LPH,F,0-9,ic50,=,0.51,uM,-6.292429823902063,MOAD,ic50=0.51uM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",C#CC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC)NC(=O)[C@](C)([NH3+])c1ccccc1)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)[O-],985.1939999999998,-3.118000000000011,349.8999999999999,30,70,11,12,0.03415138151335304
4wvs,2.09,2015,MAA-4LZ,B,1-5,ic50,=,0.54,uM,-6.267606240177032,MOAD,ic50=0.54uM,P98170,E3 ubiquitin-protein ligase XIAP,C#CC[C@H](NC(=O)[C@H](C)[NH2+]C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OCCN=[N+]=N)cc1)C(=O)[O-],675.767,-1.798729999999988,223.88999999999996,18,49,5,9,0.052722416726990046
4wvt,1.96,2015,MAA-3V7,C,1-6,ic50,=,4.87,uM,-5.3124710387853655,MOAD,ic50=4.87uM,P98170,E3 ubiquitin-protein ligase XIAP,C[NH2+][C@@H](C)C(=O)N[C@H]1Cc2ccc(cc2)OCc2cn(nn2)CCCOc2ccc(cc2)C[C@@H](C(=O)[O-])NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O,794.9099999999999,-0.5554999999999888,213.51999999999995,6,58,4,11,0.19551803671647844
4wvt,1.96,2015,MAA-3V7,D,1-6,ic50,=,4.87,uM,-5.3124710387853655,MOAD,ic50=4.87uM,"P98170,P98170","E3 ubiquitin-protein ligase XIAP,E3 ubiquitin-protein ligase XIAP",C[NH2+][C@@H](C)C(=O)N[C@H]1Cc2ccc(cc2)OCc2cn(nn2)CCCOc2ccc(cc2)C[C@@H](C(=O)[O-])NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O,794.9099999999999,-0.5554999999999897,213.51999999999995,6,58,4,11,0.19551803671647844
4wvu,2.02,2015,MAA-HOX,B,1-5,ic50,=,1.97,uM,-5.705533773838408,MOAD,ic50=1.97uM,P98170,E3 ubiquitin-protein ligase XIAP,C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)[O-])Cc1ccc(cc1)NC(=O)CCc1cn2nn1)C(C)C,729.8390000000002,-1.7677999999999936,224.15999999999997,8,53,5,10,0.17679504514118116
4wyu,2.5,2015,SER-LEU,C,-6-0,kd,=,7.3,uM,-5.136677139879544,MOAD,Kd=7.3uM,Q14160,Protein scribble homolog,CC(C)C[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])CO)[C@@H](C)O)C(=O)[O-],894.96,-5.95300000000001,381.8399999999999,26,64,11,13,0.0358180205680887
4wyu,2.5,2015,SER-LEU,D,-6-0,kd,=,7.3,uM,-5.136677139879544,MOAD,Kd=7.3uM,Q14160,Protein scribble homolog,CC(C)C[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])CO)[C@@H](C)O)C(=O)[O-],894.96,-5.95300000000001,381.8399999999999,26,64,11,13,0.0358180205680887
4xhv,1.23,2015,ASP-VAL,B,1831-1840,kd,=,50.0,uM,-4.301029995663981,MOAD,Kd=50.0uM,M9NFI9,LP20995p,CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CC(=O)[O-])C(C)C)C(=O)[O-],1267.3819999999996,-10.678899999999969,561.5899999999998,41,90,15,19,0.02346264249439166
4xxh,2.4,2015,GLC-G6P,C,1-2,kd,=,10.0,uM,-5.0,MOAD,Kd=10.0uM,P36673,HTH-type transcriptional regulator TreR,O=P([O-])([O-])OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,420.26000000000016,-6.544199999999992,241.71999999999997,6,27,7,14,0.19763619569493698
4xxh,2.4,2015,GLC-G6P,D,1-2,kd,=,10.0,uM,-5.0,MOAD,Kd=10.0uM,P36673,HTH-type transcriptional regulator TreR,O=P([O-])([O-])OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,420.26000000000016,-6.544199999999992,241.71999999999997,6,27,7,14,0.19763619569493698
4y7r,1.898,2015,GLU-VAL,B,260-267,kd,=,9.3,uM,-5.031517051446065,MOAD,Kd=9.3uM,P61964,WD repeat-containing protein 5,CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C)C(C)C,885.946,-9.05300000000002,412.08999999999986,29,62,9,16,0.03367465441457865
4ym1,2.0,2015,BGC-FUC,E,1-3,kd,=,580.0,uM,-3.2365720064370627,MOAD,Kd=580.0uM,"P56470,P56470","Galectin-4,Galectin-4",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,488.4390000000002,-6.545399999999988,248.44999999999993,6,33,10,15,0.16684349393830306
4ym1,2.0,2015,BGC-FUC,F,1-3,kd,=,580.0,uM,-3.2365720064370627,MOAD,Kd=580.0uM,"P56470,P56470","Galectin-4,Galectin-4",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,488.4390000000002,-6.545399999999988,248.44999999999993,6,33,10,15,0.16684349393830306
4ym3,1.89,2015,BGC-GAL,E,1-2,kd,=,1900.0,uM,-2.721246399047171,MOAD,Kd=1900.0uM,"P56470,P56470","Galectin-4,Galectin-4",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
4ym3,1.89,2015,BGC-GAL,F,1-2,kd,=,1900.0,uM,-2.721246399047171,MOAD,Kd=1900.0uM,"P56470,P56470","Galectin-4,Galectin-4",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
4ym3,1.89,2015,BGC-GAL,G,1-2,kd,=,1900.0,uM,-2.721246399047171,MOAD,Kd=1900.0uM,"P56470,P56470","Galectin-4,Galectin-4",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
4ym3,1.89,2015,BGC-GAL,H,1-2,kd,=,1900.0,uM,-2.721246399047171,MOAD,Kd=1900.0uM,"P56470,P56470,P56470","Galectin-4,Galectin-4,Galectin-4",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
4z5w,2.2,2016,TYS-GLN,P,28-32,kd,=,4.2,nM,-8.3767507096021,MOAD,Kd=4.2nM,Q8LPB4,Phytosulfokine receptor 1,CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(OS(=O)(=O)[O-])cc1)C(=O)N[C@@H](Cc1ccc(OS(=O)(=O)[O-])cc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])[C@@H](C)O,844.875,-4.858200000000002,380.34999999999997,23,57,7,16,0.04073032825243718
4z5w,2.2,2016,TYS-GLN,Q,28-32,kd,=,4.2,nM,-8.3767507096021,MOAD,Kd=4.2nM,Q8LPB4,Phytosulfokine receptor 1,CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])Cc1ccc(OS(=O)(=O)[O-])cc1)C(=O)N[C@@H](Cc1ccc(OS(=O)(=O)[O-])cc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)[O-])[C@@H](C)O,844.875,-4.858200000000002,380.34999999999997,23,57,7,16,0.04073032825243718
4z76,1.88,2015,LEU-VAL,C,1-9,kd,=,13.6,uM,-4.866461091629782,MOAD,Kd=13.6uM,"P01902,P61769,P01902","H-2 class I histocompatibility antigen, K-D alpha chain,Beta-2-microglobulin,H-2 class I histocompatibility antigen, K-D alpha chain",CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C,1051.2789999999995,-6.887400000000019,424.5699999999998,33,73,14,14,0.013469985453740256
4z76,1.88,2015,LEU-VAL,F,1-9,kd,=,13.6,uM,-4.866461091629782,MOAD,Kd=13.6uM,"P01902,P61769","H-2 class I histocompatibility antigen, K-D alpha chain,Beta-2-microglobulin",CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C,1051.2789999999995,-6.887400000000019,424.5699999999998,33,73,14,14,0.013469985453740256
4z78,2.304,2015,LEU-PHE,C,1-10,kd,=,113.0,uM,-3.94692155651658,MOAD,Kd=113.0uM,P01902,"H-2 class I histocompatibility antigen, K-D alpha chain",CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C(C)C,1156.3749999999995,-7.184500000000011,453.66999999999985,36,81,15,15,0.013047908182681672
4z78,2.304,2015,LEU-PHE,F,1-10,kd,=,113.0,uM,-3.94692155651658,MOAD,Kd=113.0uM,"P01902,P61769,P01902","H-2 class I histocompatibility antigen, K-D alpha chain,Beta-2-microglobulin,H-2 class I histocompatibility antigen, K-D alpha chain",CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C(C)C,1156.3749999999995,-7.184500000000011,453.6699999999998,36,81,15,15,0.013047908182681672
4z78,2.304,2015,LEU-PHE,I,1-10,kd,=,113.0,uM,-3.94692155651658,MOAD,Kd=113.0uM,"P01902,P61769","H-2 class I histocompatibility antigen, K-D alpha chain,Beta-2-microglobulin",CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])C(C)C,1156.3749999999995,-7.184500000000011,453.6699999999998,36,81,15,15,0.013047908182681672
4zo6,2.0,2016,BGC-BGC,C,1-2,ki,=,21.0,mM,-1.6777807052660807,MOAD,Ki=21.0mM,"Q92AS9,Q92AS9","Lin1840 protein,Lin1840 protein",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.297,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
5aei,1.83,2016,LYS-ARG,D,1-10,kd,=,1.1,nM,-8.958607314841775,MOAD,Kd=1.1nM,,,NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-],1449.9150000000004,-23.01100000000008,786.0699999999997,59,101,30,11,0.015272557571532295
5aei,1.83,2016,LYS-ARG,E,1-10,kd,=,1.1,nM,-8.958607314841775,MOAD,Kd=1.1nM,,,NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-],1449.9150000000004,-23.01100000000008,786.0699999999997,59,101,30,11,0.015272557571532295
5aei,1.83,2016,LYS-ARG,F,1-10,kd,=,1.1,nM,-8.958607314841775,MOAD,Kd=1.1nM,,,NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-],1449.9150000000004,-23.01100000000008,786.0699999999997,59,101,30,11,0.015272557571532295
5axi,2.5,2016,ASP-PRO,E,1-5,ic50,=,120.0,uM,-3.9208187539523753,MOAD,ic50=120.0uM,Q3TTA7,E3 ubiquitin-protein ligase CBL-B,CSCC[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(=O)CNC(=O)[C@@H]([NH3+])CC(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-],658.603,-6.233100000000003,287.92999999999995,17,44,4,13,0.1134707756757475
5azf,1.6,2015,TRP-LEU,C,1-4,kd,=,36.1,uM,-4.442492798094342,MOAD,Kd=36.1uM,Q09490,Protein lgg-1,CC(C)C[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)[O-],573.6030000000003,-4.368499999999997,251.11999999999998,17,41,5,9,0.12233945731885054
5azf,1.6,2015,TRP-LEU,D,1-4,kd,=,36.1,uM,-4.442492798094342,MOAD,Kd=36.1uM,Q09490,Protein lgg-1,CC(C)C[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)[O-],573.6030000000003,-4.368499999999997,251.11999999999998,17,41,5,9,0.12233945731885054
5bqu,2.38,2015,FRU-GAL,D,1-2,kd,=,1.37,mM,-2.8632794328435933,MOAD,Kd=1.37mM,Q45871,HA-33,OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.395599999999992,189.52999999999997,5,23,8,11,0.2378914345193498
5bqu,2.38,2015,FRU-GAL,E,1-2,kd,=,1.37,mM,-2.8632794328435933,MOAD,Kd=1.37mM,Q45871,HA-33,OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.395599999999992,189.52999999999997,5,23,8,11,0.2378914345193498
5bs0,2.4,2016,GLU-TYR,C,1-9,kd,=,76.7,nM,-7.115204636051019,MOAD,Kd=76.7nM,"P61769,P04439","Beta-2-microglobulin,HLA class I histocompatibility antigen, A-1 alpha chain",CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])C(C)C,1019.076,-8.670400000000019,455.58999999999986,30,72,11,17,0.034086661914105754
5duv,1.9,2016,BGC-GAL,E,1-2,kd,=,1300.0,uM,-2.886056647693163,MOAD,Kd=1300.0uM,"P56470,P56470,P56470","Galectin-4,Galectin-4,Galectin-4",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
5duv,1.9,2016,BGC-GAL,F,1-2,kd,=,1300.0,uM,-2.886056647693163,MOAD,Kd=1300.0uM,"P56470,P56470","Galectin-4,Galectin-4",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
5duv,1.9,2016,BGC-GAL,G,1-2,kd,=,1300.0,uM,-2.886056647693163,MOAD,Kd=1300.0uM,P56470,Galectin-4,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
5duv,1.9,2016,BGC-GAL,H,1-2,kd,=,1300.0,uM,-2.886056647693163,MOAD,Kd=1300.0uM,"P56470,P56470,P56470","Galectin-4,Galectin-4,Galectin-4",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
5duw,1.7,2016,BGC-SGA,E,1-2,kd,=,510.0,uM,-3.292429823902064,MOAD,Kd=510.0uM,"P56470,P56470,P56470,P56470","Galectin-4,Galectin-4,Galectin-4,Galectin-4",O=S(=O)([O-])O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@@H]1O,421.3530000000002,-5.912699999999991,235.72999999999996,6,27,7,14,0.1561624658202886
5duw,1.7,2016,BGC-SGA,F,1-2,kd,=,510.0,uM,-3.292429823902064,MOAD,Kd=510.0uM,"P56470,P56470,P56470,P56470","Galectin-4,Galectin-4,Galectin-4,Galectin-4",O=S(=O)([O-])O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@@H]1O,421.3530000000002,-5.912699999999991,235.72999999999996,6,27,7,14,0.1561624658202886
5duw,1.7,2016,BGC-SGA,G,1-2,kd,=,510.0,uM,-3.292429823902064,MOAD,Kd=510.0uM,"P56470,P56470","Galectin-4,Galectin-4",O=S(=O)([O-])O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@@H]1O,421.3530000000002,-5.912699999999991,235.72999999999996,6,27,7,14,0.1561624658202886
5duw,1.7,2016,BGC-SGA,H,1-2,kd,=,510.0,uM,-3.292429823902064,MOAD,Kd=510.0uM,"P56470,P56470","Galectin-4,Galectin-4",O=S(=O)([O-])O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@@H]1O,421.3530000000002,-5.912699999999991,235.72999999999996,6,27,7,14,0.1561624658202886
5dux,1.85,2016,BGC-FUC,E,1-3,kd,=,380.0,uM,-3.42021640338319,MOAD,Kd=380.0uM,"P56470,P56470,P56470,P56470","Galectin-4,Galectin-4,Galectin-4,Galectin-4",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,488.4390000000002,-6.545399999999988,248.44999999999993,6,33,10,15,0.16684349393830306
5dux,1.85,2016,BGC-FUC,F,1-3,kd,=,380.0,uM,-3.42021640338319,MOAD,Kd=380.0uM,"P56470,P56470","Galectin-4,Galectin-4",C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,488.4390000000002,-6.545399999999988,248.44999999999993,6,33,10,15,0.16684349393830306
5e1m,1.75,2015,PRO-ALA,D,1-6,kd,=,2.8,nM,-8.55284196865778,MOAD,Kd=2.8nM,"Q9BV86,Q9BV86","N-terminal Xaa-Pro-Lys N-methyltransferase 1,N-terminal Xaa-Pro-Lys N-methyltransferase 1",CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1)C(=O)N[C@@H](C)C(=O)[O-],682.8680000000003,-6.685900000000021,284.73,20,48,9,7,0.03346680965304294
5e1m,1.75,2015,PRO-ALA,E,1-6,kd,=,2.8,nM,-8.55284196865778,MOAD,Kd=2.8nM,"Q9BV86,Q9BV86","N-terminal Xaa-Pro-Lys N-methyltransferase 1,N-terminal Xaa-Pro-Lys N-methyltransferase 1",CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1)C(=O)N[C@@H](C)C(=O)[O-],682.8680000000003,-6.685900000000021,284.73,20,48,9,7,0.03346680965304294
5e2q,2.404,2016,ASP-PHE,B,1-8,kd,=,1.64,uM,-5.785156151952302,MOAD,Kd=1.64uM,Q9NY33,Dipeptidyl peptidase 3,CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CC(=O)[O-])C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-],1046.1969999999997,-6.31090000000003,415.3599999999999,29,75,12,13,0.01748695314513123
5e3a,2.05,2016,TYR-LEU,B,1-5,kd,=,3.6,uM,-5.443697499232712,MOAD,Kd=3.6uM,Q9NY33,Dipeptidyl peptidase 3,CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)[O-],555.6320000000002,-2.2140999999999904,204.39999999999998,15,40,6,7,0.14272297382318594
5e6o,1.8,2016,TRP-LEU,E,1-4,kd,=,76.9,uM,-4.114073660198569,MOAD,Kd=76.9uM,"Q23536,Q23536","Protein lgg-2,Protein lgg-2",CC(C)C[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)[O-],573.6030000000003,-4.368499999999997,251.11999999999998,17,41,5,9,0.12233945731885054
5e6o,1.8,2016,TRP-LEU,F,1-4,kd,=,76.9,uM,-4.114073660198569,MOAD,Kd=76.9uM,"Q23536,Q23536","Protein lgg-2,Protein lgg-2",CC(C)C[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)[O-],573.6030000000003,-4.368499999999997,251.11999999999998,17,41,5,9,0.12233945731885054
5e6o,1.8,2016,TRP-LEU,G,1-4,kd,=,76.9,uM,-4.114073660198569,MOAD,Kd=76.9uM,"Q23536,Q23536,Q23536","Protein lgg-2,Protein lgg-2,Protein lgg-2",CC(C)C[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)[O-],573.6030000000003,-4.368499999999997,251.11999999999998,17,41,5,9,0.12233945731885054
5e6o,1.8,2016,TRP-LEU,H,1-4,kd,=,76.9,uM,-4.114073660198569,MOAD,Kd=76.9uM,Q23536,Protein lgg-2,CC(C)C[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)[O-],573.6030000000003,-4.368499999999997,251.11999999999998,17,41,5,9,0.12233945731885054
5efj,1.73,2016,5OM-DAL,F,1-4,ki,=,0.35,uM,-6.455931955649724,MOAD,Ki=0.35uM,F8W4B7,Hdac6 protein,C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCCC(O)(O)[C@@H]2CO2)NC(=O)[C@@H](C)NC1=O,454.5240000000003,-1.4845999999999933,160.6,7,32,5,7,0.17798318525607662
5elb,1.08,2016,NDG-FUC,K,1-4,kd,=,1.1,mM,-2.958607314841775,MOAD,Kd=1.1mM,"Q57193,Q57193","Cholera enterotoxin B subunit,Cholera enterotoxin B subunit",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O,675.6340000000005,-7.549799999999994,316.24,9,46,12,19,0.10793909747468096
5elb,1.08,2016,NDG-FUC,L,1-4,kd,=,1.1,mM,-2.958607314841775,MOAD,Kd=1.1mM,"Q57193,Q57193","Cholera enterotoxin B subunit,Cholera enterotoxin B subunit",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O,675.6340000000005,-7.549799999999994,316.24,9,46,12,19,0.10793909747468096
5elb,1.08,2016,NDG-FUC,M,1-4,kd,=,1.1,mM,-2.958607314841775,MOAD,Kd=1.1mM,"Q57193,Q57193","Cholera enterotoxin B subunit,Cholera enterotoxin B subunit",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O,675.6340000000005,-7.549799999999994,316.24,9,46,12,19,0.10793909747468096
5elb,1.08,2016,NDG-FUC,N,1-4,kd,=,1.1,mM,-2.958607314841775,MOAD,Kd=1.1mM,"Q57193,Q57193","Cholera enterotoxin B subunit,Cholera enterotoxin B subunit",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O,675.6340000000005,-7.549799999999994,316.24,9,46,12,19,0.10793909747468096
5elb,1.08,2016,NDG-FUC,O,1-4,kd,=,1.1,mM,-2.958607314841775,MOAD,Kd=1.1mM,"Q57193,Q57193","Cholera enterotoxin B subunit,Cholera enterotoxin B subunit",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O,675.6340000000005,-7.549799999999994,316.24,9,46,12,19,0.10793909747468096
5elb,1.08,2016,NDG-FUC,P,1-4,kd,=,1.1,mM,-2.958607314841775,MOAD,Kd=1.1mM,"Q57193,Q57193","Cholera enterotoxin B subunit,Cholera enterotoxin B subunit",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O,675.6340000000005,-7.549799999999994,316.24,9,46,12,19,0.10793909747468096
5elb,1.08,2016,NDG-FUC,Q,1-4,kd,=,1.1,mM,-2.958607314841775,MOAD,Kd=1.1mM,"Q57193,Q57193","Cholera enterotoxin B subunit,Cholera enterotoxin B subunit",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O,675.6340000000005,-7.549799999999994,316.24,9,46,12,19,0.10793909747468096
5elb,1.08,2016,NDG-FUC,R,1-4,kd,=,1.1,mM,-2.958607314841775,MOAD,Kd=1.1mM,"Q57193,Q57193","Cholera enterotoxin B subunit,Cholera enterotoxin B subunit",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O,675.6340000000005,-7.549799999999994,316.24,9,46,12,19,0.10793909747468096
5elb,1.08,2016,FUC-FUC,S,2-5,kd,=,1.1,mM,-2.958607314841775,MOAD,Kd=1.1mM,"Q57193,Q57193","Cholera enterotoxin B subunit,Cholera enterotoxin B subunit",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O,675.6340000000005,-7.549799999999999,316.24,9,46,12,19,0.10793909747468096
5elb,1.08,2016,FUC-FUC,T,2-5,kd,=,1.1,mM,-2.958607314841775,MOAD,Kd=1.1mM,"Q57193,Q57193","Cholera enterotoxin B subunit,Cholera enterotoxin B subunit",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O,675.6340000000005,-7.549799999999999,316.24,9,46,12,19,0.10793909747468096
5elc,1.5,2016,NDG-FUC,K,1-4,kd,=,1.5,mM,-2.8239087409443187,MOAD,Kd=1.5mM,"P01556,P01556","Cholera enterotoxin subunit B,Cholera enterotoxin subunit B",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O,675.6340000000005,-7.549799999999994,316.24,9,46,12,19,0.10793909747468096
5elc,1.5,2016,NDG-FUC,L,1-4,kd,=,1.5,mM,-2.8239087409443187,MOAD,Kd=1.5mM,"P01556,P01556","Cholera enterotoxin subunit B,Cholera enterotoxin subunit B",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O,675.6340000000005,-7.549799999999994,316.24,9,46,12,19,0.10793909747468096
5elc,1.5,2016,NDG-FUC,M,1-4,kd,=,1.5,mM,-2.8239087409443187,MOAD,Kd=1.5mM,"P01556,P01556","Cholera enterotoxin subunit B,Cholera enterotoxin subunit B",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O,675.6340000000005,-7.549799999999994,316.24,9,46,12,19,0.10793909747468096
5elc,1.5,2016,NAG-FUC,N,1-4,kd,=,1.5,mM,-2.8239087409443187,MOAD,Kd=1.5mM,"P01556,P01556","Cholera enterotoxin subunit B,Cholera enterotoxin subunit B",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1O,675.6340000000005,-7.549799999999994,316.24,9,46,12,19,0.10793909747468096
5elc,1.5,2016,NDG-FUC,O,1-4,kd,=,1.5,mM,-2.8239087409443187,MOAD,Kd=1.5mM,"P01556,P01556","Cholera enterotoxin subunit B,Cholera enterotoxin subunit B",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O,675.6340000000005,-7.549799999999994,316.24,9,46,12,19,0.10793909747468096
5elc,1.5,2016,NAG-FUC,P,1-4,kd,=,1.5,mM,-2.8239087409443187,MOAD,Kd=1.5mM,"P01556,P01556","Cholera enterotoxin subunit B,Cholera enterotoxin subunit B",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1O,675.6340000000005,-7.549799999999994,316.24,9,46,12,19,0.10793909747468096
5elc,1.5,2016,NDG-FUC,Q,1-4,kd,=,1.5,mM,-2.8239087409443187,MOAD,Kd=1.5mM,"P01556,P01556","Cholera enterotoxin subunit B,Cholera enterotoxin subunit B",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O,675.6340000000005,-7.549799999999994,316.24,9,46,12,19,0.10793909747468096
5elc,1.5,2016,NDG-FUC,R,1-4,kd,=,1.5,mM,-2.8239087409443187,MOAD,Kd=1.5mM,"P01556,P01556","Cholera enterotoxin subunit B,Cholera enterotoxin subunit B",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O,675.6340000000005,-7.549799999999994,316.24,9,46,12,19,0.10793909747468096
5elc,1.5,2016,NDG-FUC,S,1-4,kd,=,1.5,mM,-2.8239087409443187,MOAD,Kd=1.5mM,"P01556,P01556","Cholera enterotoxin subunit B,Cholera enterotoxin subunit B",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O,675.6340000000005,-7.549799999999994,316.24,9,46,12,19,0.10793909747468096
5eld,1.4,2016,NDG-FUC,F,1-5,kd,=,2.19,mM,-2.659555885159881,MOAD,Kd=2.19mM,"D6R7L2,D6R7L2","Cholera enterotoxin B subunit,Cholera enterotoxin B subunit",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O,878.8280000000005,-9.581800000000023,404.26000000000005,13,60,15,24,0.08165512428290107
5eld,1.4,2016,NDG-FUC,G,1-5,kd,=,2.19,mM,-2.659555885159881,MOAD,Kd=2.19mM,"D6R7L2,D6R7L2","Cholera enterotoxin B subunit,Cholera enterotoxin B subunit",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O,878.8280000000005,-9.581800000000023,404.26000000000005,13,60,15,24,0.08165512428290107
5eld,1.4,2016,NDG-FUC,H,1-5,kd,=,2.19,mM,-2.659555885159881,MOAD,Kd=2.19mM,"D6R7L2,D6R7L2","Cholera enterotoxin B subunit,Cholera enterotoxin B subunit",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O,878.8280000000005,-9.581800000000023,404.26000000000005,13,60,15,24,0.08165512428290107
5eld,1.4,2016,NDG-FUC,I,1-5,kd,=,2.19,mM,-2.659555885159881,MOAD,Kd=2.19mM,"D6R7L2,D6R7L2","Cholera enterotoxin B subunit,Cholera enterotoxin B subunit",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)O[C@@H]1O,878.8280000000005,-9.581800000000023,404.26000000000005,13,60,15,24,0.08165512428290107
5epk,1.8,2015,5R0-5R5,B,0-5,kd,=,1.8,uM,-5.7447274948966935,MOAD,Kd=1.8uM,Q14781,Chromobox protein homolog 2,CC[NH+](CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CO)C(=O)OC,796.0429999999997,1.5907000000000078,196.46999999999997,23,57,7,8,0.06508527140235992
5epl,1.81,2015,5R0-5R5,C,0-5,kd,=,0.094,uM,-7.026872146400301,MOAD,Kd=0.094uM,"O00257,O00257","E3 SUMO-protein ligase CBX4,E3 SUMO-protein ligase CBX4",CC[NH+](CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CO)C(=O)OC,796.0429999999997,1.5907000000000078,196.46999999999997,23,57,7,8,0.06508527140235992
5epl,1.81,2015,5R0-5R5,D,0-5,kd,=,0.094,uM,-7.026872146400301,MOAD,Kd=0.094uM,"O00257,O00257","E3 SUMO-protein ligase CBX4,E3 SUMO-protein ligase CBX4",CC[NH+](CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CO)C(=O)OC,796.0429999999997,1.5907000000000078,196.46999999999997,23,57,7,8,0.06508527140235992
5eq0,1.18,2015,5R0-5R5,B,0-5,kd,=,1.2,uM,-5.920818753952375,MOAD,Kd=1.2uM,Q9HC52,Chromobox protein homolog 8,CC[NH+](CC)CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CO)C(=O)OC,796.0429999999997,1.5907000000000078,196.46999999999997,23,57,7,8,0.06508527140235992
5fot,1.189,2016,ACE-NH2,C,0-5,kd,=,680.0,uM,-3.167491087293764,MOAD,Kd=680.0uM,O74036,DNA REPAIR AND RECOMBINATION PROTEIN RADA,CC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@@H](C)O)C(N)=O,529.5980000000002,-1.5698999999999954,208.4,14,38,7,7,0.15272210276197015
5fou,1.5,2016,ACE-NH2,C,0-5,kd,=,113.0,uM,-3.94692155651658,MOAD,Kd=113.0uM,O74036,DNA REPAIR AND RECOMBINATION PROTEIN RADA,CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(N)=O,511.58300000000037,-0.8345999999999958,179.38000000000002,11,37,5,6,0.2624842322539112
5fov,1.739,2016,ACE-NH2,E,0-5,kd,=,1590.0,uM,-2.7986028756795487,MOAD,Kd=1590.0uM,O74036,DNA repair and recombination protein RadA,CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)NCC(N)=O)[C@@H](C)O,501.54400000000027,-2.348499999999996,208.4,13,36,7,7,0.15874694359660274
5fov,1.739,2016,ACE-NH2,F,101-108,kd,=,1590.0,uM,-2.7986028756795487,MOAD,Kd=1590.0uM,O74036,DNA repair and recombination protein RadA,CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)NCC(N)=O)[C@@H](C)O,501.54400000000027,-2.348499999999996,208.4,13,36,7,7,0.15874694359660274
5fow,1.797,2016,ACE-NH2,E,0-6,kd,=,93.0,uM,-4.031517051446065,MOAD,Kd=93.0uM,O74036,DNA repair and recombination protein RadA,CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)[C@@H](C)O,554.6080000000001,-1.4786999999999948,224.19,13,40,8,7,0.12492236048989556
5fow,1.797,2016,ACE-NH2,F,0-6,kd,=,93.0,uM,-4.031517051446065,MOAD,Kd=93.0uM,O74036,DNA repair and recombination protein RadA,CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)[C@@H](C)O,554.6080000000001,-1.4786999999999948,224.19,13,40,8,7,0.12492236048989556
5fox,1.3,2016,ACE-NH2,C,0-5,kd,=,675.0,uM,-3.170696227168975,MOAD,Kd=675.0uM,O74036,DNA REPAIR AND RECOMBINATION PROTEIN RADA,CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O,485.54500000000024,-1.3208999999999953,188.17000000000002,12,35,6,6,0.21612693185814325
5gub,1.78,2017,NGA-GCD,D,1-2,kd,=,0.635,uM,-6.197226274708024,MOAD,Kd=0.635uM,D1AWE0,Extracellular solute-binding protein family 1,CC(=O)N[C@@H]1[C@@H](O[C@@H]2OC(C(=O)[O-])=C[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O,378.3100000000001,-5.341399999999993,198.06999999999996,5,26,6,11,0.266888382906554
5gub,1.78,2017,NGA-GCD,E,1-2,kd,=,0.635,uM,-6.197226274708024,MOAD,Kd=0.635uM,D1AWE0,Extracellular solute-binding protein family 1,CC(=O)N[C@@H]1[C@@H](O[C@@H]2OC(C(=O)[O-])=C[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O,378.3100000000001,-5.341399999999993,198.06999999999996,5,26,6,11,0.266888382906554
5gub,1.78,2017,NGA-GCD,F,1-2,kd,=,0.635,uM,-6.197226274708024,MOAD,Kd=0.635uM,D1AWE0,Extracellular solute-binding protein family 1,CC(=O)N[C@@H]1[C@@H](O[C@@H]2OC(C(=O)[O-])=C[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@H]1O,378.3100000000001,-5.341399999999993,198.06999999999996,5,26,6,11,0.266888382906554
5h7h,1.95,2016,ACE-PRO,B,800-804,ic50,=,170.0,uM,-3.769551078621726,MOAD,ic50=170.0uM,P41182,B-cell lymphoma 6 protein,CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C,598.7050000000002,-2.9747999999999974,227.17000000000002,14,43,7,6,0.06728818593850713
5h7h,1.95,2016,ACE-PRO,C,900-904,ic50,=,170.0,uM,-3.769551078621726,MOAD,ic50=170.0uM,P41182,B-cell lymphoma 6 protein,CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C,598.7050000000002,-2.9747999999999974,227.17000000000002,14,43,7,6,0.06728818593850713
5hf3,1.8,2016,ACE-60H,B,1-9,kd,=,13.4,uM,-4.872895201635192,MOAD,Kd=13.4uM,P31947,14-3-3 protein sigma,CC(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](COP(=O)([O-])[O-])C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N1CCC[C@H]1C(c1ccccc1)c1ccccc1)[C@@H](C)O)[C@H](C)O,1111.2250000000001,-3.668000000000017,382.94999999999993,26,78,10,14,0.018783117649714205
5iql,2.1,2016,ALA-ALA,B,24-31,kd,=,31.7,uM,-4.498940737782249,MOAD,Kd=31.7uM,Q9ULM3,YEATS domain-containing protein 2,C/C=C/C(=O)NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](C)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)[O-],839.973,-8.375300000000015,375.6499999999999,25,59,12,11,0.017616627958780124
5isz,2.06,2017,GLY-LEU,C,1-9,kd,=,27.0,nM,-7.568636235841012,MOAD,Kd=27.0nM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CC[C@H](C)[C@H](NC(=O)C[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)[O-])[C@@H](C)O)C(C)C,966.1909999999999,-1.8515000000000064,320.79999999999995,29,69,10,11,0.04316594420932014
5ivx,2.1,2017,ARG-ILE,P,1-10,kd,~,0.54,uM,-6.267606240177032,MOAD,Kd~0.54uM,P01900,"H-2 class I histocompatibility antigen, D-D alpha chain",CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(C)C)[C@@H](C)O)C(=O)[O-],1075.2839999999999,-10.288299999999975,468.3899999999999,32,76,16,12,0.01809968159215889
5jhd,2.46,2017,GLY-LEU,C,1-9,kd,=,37.0,nM,-7.431798275933005,MOAD,Kd=37.0nM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CC[C@H](C)[C@H](NC(=O)C[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)[O-])[C@@H](C)O)C(C)C,966.1909999999999,-1.8515000000000064,320.79999999999995,29,69,10,11,0.04316594420932014
5jhd,2.46,2017,GLY-LEU,H,1-9,kd,=,37.0,nM,-7.431798275933005,MOAD,Kd=37.0nM,"P04439,P61769","HLA class I histocompatibility antigen, A-2 alpha chain,Beta-2-microglobulin",CC[C@H](C)[C@H](NC(=O)C[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)[O-])[C@@H](C)O)C(C)C,966.1909999999999,-1.8515000000000064,320.79999999999995,29,69,10,11,0.04316594420932014
5jr6,2.3,2016,01B-NH2,F,1-5,ic50,=,20.2,uM,-4.694648630553377,MOAD,ic50=20.2uM,"A0A144A2H0,A0A144A2H0","Peptidase, putative,Peptidase, putative",C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H]([NH3+])Cc1ccccc1)C(N)=O,460.55500000000035,-1.8274999999999917,160.68,8,33,4,5,0.35842093296823513
5lne,2.2,2016,A2G-GAL,C,1-2,kd,=,17.43,uM,-4.758702612890007,MOAD,Kd=17.43uM,A0A0H2V7F6,Putative Fml fimbrial adhesin FmlD,CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@@H]1O,383.3500000000001,-5.253399999999992,198.39999999999995,5,26,8,11,0.2255562159466081
5lne,2.2,2016,A2G-GAL,D,1-2,kd,=,17.43,uM,-4.758702612890007,MOAD,Kd=17.43uM,A0A0H2V7F6,Putative Fml fimbrial adhesin FmlD,CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@@H]1O,383.3500000000001,-5.253399999999992,198.39999999999995,5,26,8,11,0.2255562159466081
5lyn,2.0,2017,PRO-ASP,C,1-7,kd,=,9.04,uM,-5.043831569524636,MOAD,Kd=9.04uM,"Q12118,Q12118","Small glutamine-rich tetratricopeptide repeat-containing protein 2,Small glutamine-rich tetratricopeptide repeat-containing protein 2",CC(C)[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-],784.7970000000004,-9.736100000000024,371.9599999999999,24,55,8,15,0.04504858727242541
5lyn,2.0,2017,PRO-ASP,D,1-7,kd,=,9.04,uM,-5.043831569524636,MOAD,Kd=9.04uM,"Q12118,Q12118","Small glutamine-rich tetratricopeptide repeat-containing protein 2,Small glutamine-rich tetratricopeptide repeat-containing protein 2",CC(C)[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-],784.7970000000004,-9.736100000000024,371.9599999999999,24,55,8,15,0.04504858727242541
5meo,1.772,2016,ILE-LEU,C,1-9,kd,=,1.0,uM,-6.0,MOAD,Kd=1.0uM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)[O-],1098.4059999999993,-4.894700000000015,420.52999999999986,37,78,14,11,0.017173958116737175
5meq,2.27,2016,ILE-LEU,C,1-9,kd,=,28.0,uM,-4.552841968657781,MOAD,Kd=28.0uM,P04439,"HLA class I histocompatibility antigen, A-2 alpha chain",CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)[O-])[C@@H](C)O,1056.341,-2.5690000000000186,377.11999999999995,34,75,12,12,0.032219661122430486
5n70,1.81,2017,ALA-ARG,B,5-12,kd,~,3.0,nM,-8.522878745280337,MOAD,Kd~3.0nM,V5HCK7,Putative cathepsin d,CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-])[C@@H](C)O,975.2069999999997,-8.1306,410.1899999999999,29,69,14,10,0.020160769413839905
5nwi,2.35,2017,TYR-ASN,P,673-677,kd,=,0.69,uM,-6.161150909262744,MOAD,Kd=0.69uM,P93343,14-3-3 c-1 protein,NC(=O)C[C@H](NC(=O)[C@H](COP(=O)([O-])[O-])NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)[O-],694.5910000000001,-6.8100000000000085,340.13999999999993,19,48,8,13,0.06347954123309883
5ovc,1.55,2018,ACE-LEU,B,986-992,kd,=,1.1,uM,-5.958607314841775,MOAD,Kd=1.1uM,Q9JLU4,SH3 and multiple ankyrin repeat domains protein 3,CC(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)[O-])[C@@H](C)O,757.8229999999998,-8.649000000000024,381.8199999999999,25,53,11,12,0.023413089333571842
5ovp,1.5,2018,ACE-LEU,B,1509-1515,kd,=,9.1,uM,-5.040958607678906,MOAD,Kd=9.1uM,Q9JLU4,SH3 and multiple ankyrin repeat domains protein 3,CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)[O-])[C@@H](C)O)C(C)C,700.811,-3.948199999999999,298.28,22,49,9,11,0.05250823758771272
5ovv,1.4,2018,ACE-ILE,B,697-703,kd,=,33.0,uM,-4.481486060122112,MOAD,Kd=33.0uM,Q9JLU4,SH3 and multiple ankyrin repeat domains protein 3,CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](NC(C)=O)[C@@H](C)CC)[C@@H](C)O)C(=O)[O-],729.761,-6.809500000000016,335.44999999999993,24,51,8,14,0.04579706107624505
5sxm,2.0,2016,ACE-NH2,C,0-7,kd,=,2.9,nM,-8.537602002101044,MOAD,Kd=2.9nM,P61964,WD repeat-containing protein 5,CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(C)C)[C@@H](C)O,778.865,-6.620900000000023,361.9199999999999,23,55,12,11,0.027967704749166617
5sxm,2.0,2016,ACE-NH2,D,0-7,kd,=,2.9,nM,-8.537602002101044,MOAD,Kd=2.9nM,P61964,WD repeat-containing protein 5,CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(C)C)[C@@H](C)O,778.865,-6.620900000000023,361.9199999999999,23,55,12,11,0.027967704749166617
5t70,2.1,2017,THR-TRP,C,1-10,kd,=,102.0,uM,-3.9913998282380825,MOAD,Kd=102.0uM,"P43629,P61769,P01889","Killer cell immunoglobulin-like receptor 3DL1,Beta-2-microglobulin,HLA class I histocompatibility antigen, B-57 alpha chain",CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])[C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-],1174.2569999999996,-9.532799999999984,555.3199999999997,38,83,16,18,0.02968510155285087
5t7s,1.9,2017,GLC-GAL,B,1-2,kd,=,3.1,uM,-5.508638306165727,MOAD,Kd=3.1uM,O00214,Galectin-8,OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
5u98,2.0,2017,VAL-VAL,C,1-9,kd,=,0.2,nM,-9.69897000433602,MOAD,Kd=0.2nM,P01889,"HLA class I histocompatibility antigen, B-57 alpha chain",CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C,1002.1779999999995,-8.1814,451.8899999999999,33,70,13,15,0.027175353934044084
5u98,2.0,2017,VAL-VAL,F,1-9,kd,=,0.2,nM,-9.69897000433602,MOAD,Kd=0.2nM,P01889,"HLA class I histocompatibility antigen, B-57 alpha chain",CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C,1002.1779999999995,-8.1814,451.8899999999999,33,70,13,15,0.027175353934044084
5uff,2.137,2017,BGC-FUC,B,1-3,kd,=,57.1,uM,-4.243363891754152,MOAD,Kd=57.1uM,,,C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O,488.4390000000002,-6.545399999999988,248.44999999999993,6,33,10,15,0.16684349393830306
5vmf,2.35,2017,NAG-SIA,H,1-3,kd,=,0.305,uM,-6.515700160653214,MOAD,Kd=0.305uM,"Q9WFX3,Q9WFX3","Hemagglutinin HA2,Hemagglutinin HA1",CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O,673.5980000000006,-9.414300000000017,346.78000000000003,12,46,12,19,0.09142728679765473
5vmf,2.35,2017,NAG-SIA,I,1-3,kd,=,0.305,uM,-6.515700160653214,MOAD,Kd=0.305uM,"Q9WFX3,Q9WFX3","Hemagglutinin HA1,Hemagglutinin HA2",CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O,673.5980000000006,-9.414300000000017,346.78000000000003,12,46,12,19,0.09142728679765473
5vmf,2.35,2017,NAG-SIA,K,1-3,kd,=,0.305,uM,-6.515700160653214,MOAD,Kd=0.305uM,"Q9WFX3,Q9WFX3","Hemagglutinin HA2,Hemagglutinin HA1",CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO[C@]3(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O,673.5980000000006,-9.414300000000017,346.78000000000003,12,46,12,19,0.09142728679765473
5wou,1.55,2018,LEU-LEU,V,98-105,kd,=,664.0,nM,-6.177831920631983,MOAD,Kd=664.0nM,Q7KRY7,Protein lap4,CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CC(C)C)[C@@H](C)O)C(=O)[O-],875.9979999999999,-5.495400000000013,343.2699999999999,25,62,9,13,0.044351131071959295
5x54,2.3,2017,ACE-TRP,C,0-4,kd,=,10.0,uM,-5.0,MOAD,Kd=10.0uM,Q14145,Kelch-like ECH-associated protein 1,CC(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-],745.7930000000001,0.39750000000000735,244.02999999999997,17,55,7,8,0.06874543439516716
5x54,2.3,2017,ACE-TRP,D,0-4,kd,=,10.0,uM,-5.0,MOAD,Kd=10.0uM,"Q14145,Q14145","Kelch-like ECH-associated protein 1,Kelch-like ECH-associated protein 1",CC(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-],745.7930000000001,0.39750000000000646,244.02999999999997,17,55,7,8,0.06874543439516716
5xn3,1.34,2017,ARG-VAL,B,1-8,kd,=,671.0,nM,-6.173277479831008,MOAD,Kd=671.0nM,Q99619,SPRY domain-containing SOCS box protein 2,CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)[O-])NC(=O)CNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O,882.9339999999999,-10.578299999999986,465.8399999999998,15,62,14,13,0.04126234588801578
5y24,1.922,2018,GLY-ALA,C,1-6,kd,=,4.6,nM,-8.337242168318426,MOAD,Kd=4.6nM,O64094,AimR transcriptional regulator,CSCC[C@H](NC(=O)C[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](C)C(=O)[O-],588.7120000000004,-7.243600000000014,268.12,17,40,8,8,0.045153162052609525
5y24,1.922,2018,GLY-ALA,D,1-6,kd,=,4.6,nM,-8.337242168318426,MOAD,Kd=4.6nM,O64094,AimR transcriptional regulator,CSCC[C@H](NC(=O)C[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](C)C(=O)[O-],588.7120000000004,-7.243600000000014,268.12,17,40,8,8,0.045153162052609525
5yyf,1.903,2018,PHQ-FOA,B,4-101,kd,=,0.33,uM,-6.481486060122112,MOAD,Kd=0.33uM,"P42568,P42568","Protein AF-9,Protein AF-9",C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCCNC(=O)c1ccco1)C(N)=O,830.9209999999995,-3.991000000000013,367.01999999999987,26,59,12,11,0.02447829889159305
5yyf,1.903,2018,PHQ-FOA,D,4-101,kd,=,0.33,uM,-6.481486060122112,MOAD,Kd=0.33uM,"P42568,P42568","Protein AF-9,Protein AF-9",C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCCNC(=O)c1ccco1)C(N)=O,830.9209999999995,-3.991000000000013,367.01999999999987,26,59,12,11,0.02447829889159305
5zys,1.78,2019,LEU-VAL,B,1247-1256,kd,=,0.54,uM,-6.267606240177032,MOAD,Kd=0.54uM,Q6RHR9,"Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 1",CC(C)C[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)[O-])C(C)C,1180.419999999999,-6.1759,453.3299999999998,36,84,13,14,0.017154690035089685
6b5q,2.16,2018,PPI-1XY,D,1-5,kd,=,5.7,nM,-8.244125144327509,MOAD,Kd=5.7nM,Q96GG9,DCN1-like protein 1,CCC(=O)N[C@@H](Cc1nc2ccc(Cl)cc2s1)C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH+](C)C)C(=O)N[C@@H]1CCOc2ccccc21)C1CCCC1,726.3640000000001,3.5016000000000025,142.95999999999998,16,50,5,7,0.14325978530311784
6b5q,2.16,2018,PPI-1XY,E,1-5,kd,=,5.7,nM,-8.244125144327509,MOAD,Kd=5.7nM,Q96GG9,DCN1-like protein 1,CCC(=O)N[C@@H](Cc1nc2ccc(Cl)cc2s1)C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH+](C)C)C(=O)N[C@@H]1CCOc2ccccc21)C1CCCC1,726.3640000000001,3.5016000000000025,142.95999999999998,16,50,5,7,0.14325978530311784
6bj3,1.898,2018,ILE-LEU,C,1-9,kd,=,17.0,uM,-4.769551078621726,MOAD,Kd=17.0uM,"Q6IRV4,K7N5M4,P01889","TCR 55 alpha chain,TCR 55 beta chain,HLA class I histocompatibility antigen, B-35 alpha chain",CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CC(C)C)C(=O)[O-])[C@@H](C)O,1011.1169999999998,-8.139300000000016,432.39999999999986,32,71,9,17,0.030216266504487357
6cdc,1.75,2018,PRO-TRP,C,1-4,kd,=,2.5,uM,-5.6020599913279625,MOAD,Kd=2.5uM,Q8IVV7,Glucose-induced degradation protein 4 homolog,CC(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-],471.5580000000002,-1.681999999999994,159.82999999999998,11,34,5,5,0.26419532726048267
6cen,1.61,2018,ACE-NH2,D,0-6,ic50,=,3.2,uM,-5.494850021680094,MOAD,ic50=3.2uM,Q9BZ95,Histone-lysine N-methyltransferase NSD3,CCCC[C@H](NC(=O)[C@@H](NC(=O)CNC(C)=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C(N)=O)[C@@H](C)CC,598.7700000000002,-3.1171000000000033,252.23000000000002,20,42,9,6,0.039270471827657194
6cjv,1.547,2018,RRY-RRJ,B,1-2,ki,=,300.0,nM,-6.522878745280337,MOAD,Ki=300.0nM,P00918,Carbonic anhydrase 2,OC[C@H]1O[C@@H](O[C@]2(CCl)O[C@@H](CCl)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1Cl,397.6350000000001,-1.6561000000000003,128.84,5,23,5,8,0.34888107477148894
6dn5,2.4,2019,TRP-BAL,B,1-8,kd,=,32.0,nM,-7.494850021680094,MOAD,Kd=32.0nM,Q99619,SPRY domain-containing SOCS box protein 2,CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O,826.8449999999998,-6.048600000000014,388.8899999999999,12,59,11,12,0.09529569645445794
6dn6,1.59,2019,ILE-ABU,B,1-5,kd,=,7.0,nM,-8.154901959985743,MOAD,Kd=7.0nM,Q99619,SPRY domain-containing SOCS box protein 2,CC[C@H](C)[C@@H]1NC(=O)CCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O,540.5780000000004,-4.492100000000003,274.77,8,38,8,8,0.14812037464527233
6dtn,1.475,2019,6D6-NH2,A,1-8,ki,=,39.0,nM,-7.4089353929735005,MOAD,Ki=39.0nM,Q9BV86,N-terminal Xaa-Pro-Lys N-methyltransferase 1,CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC[N@@H+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)N[C@@H](C)C(N)=O,1091.330999999999,-11.562199999999944,467.03999999999985,31,77,15,16,0.01893775611304323
6epz,1.8,2018,GLC-GLA,E,1-2,kd,=,0.76,uM,-6.119186407719209,MOAD,Kd=0.76uM,A0A083ZM57,Periplasmic alpha-galactoside-binding protein,OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
6epz,1.8,2018,GLC-GLA,F,1-2,kd,=,0.76,uM,-6.119186407719209,MOAD,Kd=0.76uM,A0A083ZM57,Periplasmic alpha-galactoside-binding protein,OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
6epz,1.8,2018,GLC-GLA,G,1-2,kd,=,0.76,uM,-6.119186407719209,MOAD,Kd=0.76uM,A0A083ZM57,Periplasmic alpha-galactoside-binding protein,OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
6epz,1.8,2018,GLC-GLA,H,1-2,kd,=,0.76,uM,-6.119186407719209,MOAD,Kd=0.76uM,A0A083ZM57,Periplasmic alpha-galactoside-binding protein,OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
6er4,1.3,2018,BGC-SIA,C,1-3,kd,=,1.7,mM,-2.769551078621726,MOAD,Kd=1.7mM,"A7B557,A7B557","BNR/Asp-box repeat protein,BNR/Asp-box repeat protein",CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@H]2O)(C(=O)[O-])C[C@@H]1O,632.5450000000006,-9.558100000000012,337.91,11,43,12,19,0.1005084884836732
6er4,1.3,2018,BGC-SIA,D,1-3,kd,=,1.7,mM,-2.769551078621726,MOAD,Kd=1.7mM,"A7B557,A7B557","BNR/Asp-box repeat protein,BNR/Asp-box repeat protein",CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@H]2O)(C(=O)[O-])C[C@@H]1O,632.5450000000006,-9.558100000000012,337.91,11,43,12,19,0.1005084884836732
6exj,1.8,2018,ACE-ILE,B,363-369,kd,=,47.0,uM,-4.327902142064282,MOAD,Kd=47.0uM,"Q9JLU4,Q9JLU4","SH3 and multiple ankyrin repeat domains protein 3,SH3 and multiple ankyrin repeat domains protein 3",CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)[O-])NC(C)=O)[C@@H](C)O)C(=O)[O-],715.7580000000002,-6.464200000000013,338.40999999999997,23,50,9,13,0.04757974061192824
6exj,1.8,2018,ACE-ILE,D,363-369,kd,=,47.0,uM,-4.327902142064282,MOAD,Kd=47.0uM,"Q9JLU4,Q9JLU4","SH3 and multiple ankyrin repeat domains protein 3,SH3 and multiple ankyrin repeat domains protein 3",CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)[O-])NC(C)=O)[C@@H](C)O)C(=O)[O-],715.7580000000002,-6.464200000000013,338.40999999999997,23,50,9,13,0.04757974061192824
6ghj,2.26,2018,PHE-GLN,B,1-3,kd,=,6.89,mM,-2.1617807780923743,MOAD,Kd=6.89mM,Q5M4H8,Di-or tripeptide:H+ symporter,C[C@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-],364.4020000000002,-3.1554999999999955,169.06,10,26,4,5,0.34289711944945933
6hjd,1.54,2019,NDG-GAL,K,1-3,kd,=,10.0,mM,-2.0,MOAD,Kd=10.0mM,"P01556,P01556","Cholera toxin B subunit,Cholera toxin B subunit",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1O,529.4920000000002,-6.401599999999988,257.31999999999994,7,36,10,15,0.1470363758205632
6hjd,1.54,2019,NDG-GAL,L,1-3,kd,=,10.0,mM,-2.0,MOAD,Kd=10.0mM,"P01556,P01556","Cholera toxin B subunit,Cholera toxin B subunit",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1O,529.4920000000002,-6.401599999999988,257.31999999999994,7,36,10,15,0.1470363758205632
6hjd,1.54,2019,NAG-GAL,M,1-3,kd,=,10.0,mM,-2.0,MOAD,Kd=10.0mM,"P01556,P01556","Cholera toxin B subunit,Cholera toxin B subunit",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O,529.4920000000002,-6.401599999999988,257.31999999999994,7,36,10,15,0.1470363758205632
6hjd,1.54,2019,NDG-GAL,N,1-3,kd,=,10.0,mM,-2.0,MOAD,Kd=10.0mM,"P01556,P01556","Cholera toxin B subunit,Cholera toxin B subunit",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1O,529.4920000000002,-6.401599999999988,257.31999999999994,7,36,10,15,0.1470363758205632
6hjd,1.54,2019,NAG-GAL,O,1-3,kd,=,10.0,mM,-2.0,MOAD,Kd=10.0mM,"P01556,P01556","Cholera toxin B subunit,Cholera toxin B subunit",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O,529.4920000000002,-6.401599999999988,257.31999999999994,7,36,10,15,0.1470363758205632
6hjd,1.54,2019,NDG-GAL,P,1-3,kd,=,10.0,mM,-2.0,MOAD,Kd=10.0mM,"P01556,P01556","Cholera toxin B subunit,Cholera toxin B subunit",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1O,529.4920000000002,-6.401599999999988,257.31999999999994,7,36,10,15,0.1470363758205632
6hjd,1.54,2019,NDG-GAL,Q,1-3,kd,=,10.0,mM,-2.0,MOAD,Kd=10.0mM,"P01556,P01556","Cholera toxin B subunit,Cholera toxin B subunit",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1O,529.4920000000002,-6.401599999999988,257.31999999999994,7,36,10,15,0.1470363758205632
6hjd,1.54,2019,NDG-GAL,R,1-3,kd,=,10.0,mM,-2.0,MOAD,Kd=10.0mM,"P01556,P01556","Cholera toxin B subunit,Cholera toxin B subunit",CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1O,529.4920000000002,-6.401599999999988,257.31999999999994,7,36,10,15,0.1470363758205632
6hp5,2.28,2019,GLY-ALA,C,1-6,kd,=,53.8,nM,-7.269217724333611,MOAD,Kd=53.8nM,O31927,SPBc2 prophage-derived uncharacterized protein YopK,CSCC[C@H](NC(=O)C[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](C)C(=O)[O-],588.7120000000004,-7.243600000000014,268.12,17,40,8,8,0.045153162052609525
6hp5,2.28,2019,GLY-ALA,D,1-6,kd,=,53.8,nM,-7.269217724333611,MOAD,Kd=53.8nM,O31927,SPBc2 prophage-derived uncharacterized protein YopK,CSCC[C@H](NC(=O)C[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](C)C(=O)[O-],588.7120000000004,-7.243600000000014,268.12,17,40,8,8,0.045153162052609525
6i5r,1.6,2019,BMA-BMA,B,1-2,kd,=,6.4e-08,M,-7.1938200260161125,MOAD,Kd=6.4e-08M,A0A4V8GZY6,"Sugar ABC transporter substrate-binding protein, BlMnBP1",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
6id4,2.4,2019,ALA-LYS,T,1-9,kd,=,6.4e-08,M,-7.1938200260161125,MOAD,Kd=6.4e-08M,"P61769,F6IQY1","Beta-2-microglobulin,MHC class I antigen",CC[C@H](C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-])[C@@H](C)O,1013.2059999999997,-7.669900000000023,431.9899999999999,34,70,14,15,0.028536744317515888
6id4,2.4,2019,ALA-LYS,U,1-9,kd,=,6.4e-08,M,-7.1938200260161125,MOAD,Kd=6.4e-08M,"P61769,F6IQY1","Beta-2-microglobulin,MHC class I antigen",CC[C@H](C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-])[C@@H](C)O,1013.2059999999997,-7.66990000000002,431.9899999999999,34,70,14,15,0.028536744317515888
6j67,2.05,2019,3FB-PRO,C,1-6,ki,=,14.3,uM,-4.844663962534938,MOAD,Ki=14.3uM,Q15554,Telomeric repeat-binding factor 2,CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H]([NH3+])Cc2ccccc2)CCCCCCC[C@H](C(=O)N(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC1=O,846.1069999999997,1.7859000000000091,213.75999999999996,12,61,6,7,0.1863030369543082
6j9w,1.8,2019,GLC-GLC,B,1-2,kd,=,7.46,uM,-5.127261172527331,MOAD,Kd=7.46uM,Q5SLD7,"ABC transporter, periplasmic substrate-binding protein",OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
6j9y,1.63,2019,GLC-GLC,B,1-2,kd,=,8.54,uM,-5.068542129310995,MOAD,Kd=8.54uM,Q5SLD7,"ABC transporter, periplasmic substrate-binding protein",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
6jag,1.85,2019,GLC-FRU,B,1-2,kd,=,31.5,uM,-4.501689446210399,MOAD,Kd=31.5uM,Q5SLD7,"ABC transporter, periplasmic substrate-binding protein",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,342.297,-5.395599999999992,189.52999999999997,5,23,8,11,0.2378914345193498
6jam,1.63,2019,GLC-GLC,B,1-2,kd,=,5.95,uM,-5.22548303427145,MOAD,Kd=5.95uM,Q5SLD7,"ABC transporter, periplasmic substrate-binding protein",OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
6jan,1.77,2019,GLC-GLC,B,1-2,kd,=,1.61,uM,-5.79317412396815,MOAD,Kd=1.61uM,Q5SLD7,"ABC transporter, periplasmic substrate-binding protein",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
6jap,1.77,2019,GLC-FRU,B,1-2,kd,=,16.02,uM,-4.795337488251781,MOAD,Kd=16.02uM,Q5SLD7,"ABC transporter, periplasmic substrate-binding protein",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,342.297,-5.395599999999992,189.52999999999997,5,23,8,11,0.2378914345193498
6jb0,1.63,2019,GLC-GLC,B,1-2,kd,=,0.058,uM,-7.236572006437063,MOAD,Kd=0.058uM,Q5SLD7,"ABC transporter, periplasmic substrate-binding protein",OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
6jb4,1.63,2019,GLC-GLC,B,1-2,kd,=,1.04,uM,-5.982966660701219,MOAD,Kd=1.04uM,Q5SLD7,"ABC transporter, periplasmic substrate-binding protein",OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.2970000000001,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
6jbb,1.95,2019,GLC-FRU,B,1-2,kd,=,1.03,uM,-5.987162775294828,MOAD,Kd=1.03uM,Q5SLD7,"ABC transporter, periplasmic substrate-binding protein",OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,342.297,-5.395599999999992,189.52999999999997,5,23,8,11,0.2378914345193498
6md6,1.68,2019,U2A-BGC,B,1-2,ki,=,0.00255,M,-2.593459819566045,MOAD,Ki=0.00255M,Q9XEI3,Beta-D-glucan exohydrolase isoenzyme ExoI,CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,372.3920000000001,-4.026499999999998,169.29999999999998,5,24,7,11,0.250759775697843
6mi1,2.3,2019,U1Y-BGC,B,1-2,kd,=,6.4e-08,M,-7.1938200260161125,MOAD,Kd=6.4e-08M,Q9XEI3,Beta-D-glucan exohydrolase isoenzyme ExoI,CO[C@@H]1O[C@H](CS[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,372.3920000000001,-4.026499999999997,169.29999999999998,5,24,7,11,0.250759775697843
6ms1,1.35,2019,GLY-VAL,C,192-199,kd,=,5970.0,nM,-5.224025668870631,MOAD,Kd=5970.0nM,"Q14160,Q14160","Protein scribble homolog,Protein scribble homolog",CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)C[NH3+])C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)[O-])C(C)C)[C@@H](C)O)C(C)C,824.9300000000002,-5.956400000000013,352.38999999999993,24,58,12,13,0.046275333289029254
6ms1,1.35,2019,GLY-VAL,D,145-152,kd,=,5970.0,nM,-5.224025668870631,MOAD,Kd=5970.0nM,Q14160,Protein scribble homolog,CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)C[NH3+])C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)[O-])C(C)C)[C@@H](C)O)C(C)C,824.9300000000002,-5.956400000000013,352.38999999999993,24,58,12,13,0.046275333289029254
6mtu,2.141,2019,PRO-LEU,C,822-829,kd,=,6083.0,nM,-5.215882183537077,MOAD,Kd=6083.0nM,"Q14160,Q14160","Protein scribble homolog,Protein scribble homolog",CC(C)C[C@H](NC(=O)[C@H](COP(=O)([O-])[O-])NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC[NH2+]1)[C@@H](C)O)[C@@H](C)O)C(=O)[O-],974.8960000000002,-11.119999999999996,485.2199999999999,29,67,12,19,0.03316946071646084
6mtu,2.141,2019,PRO-LEU,D,822-829,kd,=,6083.0,nM,-5.215882183537077,MOAD,Kd=6083.0nM,"Q14160,Q14160","Protein scribble homolog,Protein scribble homolog",CC(C)C[C@H](NC(=O)[C@H](COP(=O)([O-])[O-])NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC[NH2+]1)[C@@H](C)O)[C@@H](C)O)C(=O)[O-],974.8960000000002,-11.119999999999996,485.2199999999999,29,67,12,19,0.03316946071646084
6ofq,1.45,2019,SER-ALA,B,1-4,kd,=,7.06,uM,-5.151195298948196,MOAD,Kd=7.06uM,A0A1U9ISL1,Heme-binding protein A / AI-2 binding protein A,C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CO)[C@@H](C)O)C(=O)[O-],364.35500000000013,-6.813499999999999,215.76,10,25,7,8,0.19703892370367243
6pka,2.25,2019,OO1-MP8,H,1-7,kd,=,1.19,uM,-5.924453038607469,MOAD,Kd=1.19uM,"Q2G036,Q2G036","ATP-dependent Clp protease proteolytic subunit,ATP-dependent Clp protease proteolytic subunit",Cc1ccc(NC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)cc1,793.8689999999997,2.1614200000000023,186.56,6,57,4,8,0.32079028010611677
6pka,2.25,2019,OO1-MP8,J,1-7,kd,=,1.19,uM,-5.924453038607469,MOAD,Kd=1.19uM,"Q2G036,Q2G036","ATP-dependent Clp protease proteolytic subunit,ATP-dependent Clp protease proteolytic subunit",Cc1ccc(NC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)cc1,793.8689999999997,2.1614200000000023,186.56,6,57,4,8,0.32079028010611677
6pka,2.25,2019,OO1-MP8,O,1-7,kd,=,1.19,uM,-5.924453038607469,MOAD,Kd=1.19uM,"Q2G036,Q2G036","ATP-dependent Clp protease proteolytic subunit,ATP-dependent Clp protease proteolytic subunit",Cc1ccc(NC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)cc1,793.8689999999997,2.1614200000000023,186.56,6,57,4,8,0.32079028010611677
6pka,2.25,2019,OO1-MP8,P,1-7,kd,=,1.19,uM,-5.924453038607469,MOAD,Kd=1.19uM,"Q2G036,Q2G036","ATP-dependent Clp protease proteolytic subunit,ATP-dependent Clp protease proteolytic subunit",Cc1ccc(NC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)cc1,793.8689999999997,2.1614200000000023,186.56,6,57,4,8,0.32079028010611677
6pka,2.25,2019,OO1-MP8,Q,1-7,kd,=,1.19,uM,-5.924453038607469,MOAD,Kd=1.19uM,"Q2G036,Q2G036","ATP-dependent Clp protease proteolytic subunit,ATP-dependent Clp protease proteolytic subunit",Cc1ccc(NC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)cc1,793.8689999999997,2.1614200000000023,186.56,6,57,4,8,0.32079028010611677
6pka,2.25,2019,OO1-MP8,R,1-7,kd,=,1.19,uM,-5.924453038607469,MOAD,Kd=1.19uM,"Q2G036,Q2G036","ATP-dependent Clp protease proteolytic subunit,ATP-dependent Clp protease proteolytic subunit",Cc1ccc(NC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)cc1,793.8689999999997,2.1614200000000023,186.56,6,57,4,8,0.32079028010611677
6pka,2.25,2019,OO1-MP8,U,1-7,kd,=,1.19,uM,-5.924453038607469,MOAD,Kd=1.19uM,"Q2G036,Q2G036","ATP-dependent Clp protease proteolytic subunit,ATP-dependent Clp protease proteolytic subunit",Cc1ccc(NC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)cc1,793.8689999999997,2.1614200000000023,186.56,6,57,4,8,0.32079028010611677
6pka,2.25,2019,OO1-MP8,V,1-7,kd,=,1.19,uM,-5.924453038607469,MOAD,Kd=1.19uM,"Q2G036,Q2G036","ATP-dependent Clp protease proteolytic subunit,ATP-dependent Clp protease proteolytic subunit",Cc1ccc(NC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)cc1,793.8689999999997,2.1614200000000023,186.56,6,57,4,8,0.32079028010611677
6pka,2.25,2019,OO1-MP8,X,1-7,kd,=,1.19,uM,-5.924453038607469,MOAD,Kd=1.19uM,"Q2G036,Q2G036","ATP-dependent Clp protease proteolytic subunit,ATP-dependent Clp protease proteolytic subunit",Cc1ccc(NC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)cc1,793.8689999999997,2.1614200000000023,186.56,6,57,4,8,0.32079028010611677
6pka,2.25,2019,OO1-MP8,Y,1-7,kd,=,1.19,uM,-5.924453038607469,MOAD,Kd=1.19uM,"Q2G036,Q2G036","ATP-dependent Clp protease proteolytic subunit,ATP-dependent Clp protease proteolytic subunit",Cc1ccc(NC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)cc1,793.8689999999997,2.1614200000000023,186.56,6,57,4,8,0.32079028010611677
6pka,2.25,2019,OO1-MP8,Z,1-7,kd,=,1.19,uM,-5.924453038607469,MOAD,Kd=1.19uM,"Q2G036,Q2G036","ATP-dependent Clp protease proteolytic subunit,ATP-dependent Clp protease proteolytic subunit",Cc1ccc(NC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)cc1,793.8689999999997,2.1614200000000023,186.56,6,57,4,8,0.32079028010611677
6pka,2.25,2019,OO1-MP8,a,1-7,kd,=,1.19,uM,-5.924453038607469,MOAD,Kd=1.19uM,"Q2G036,Q2G036","ATP-dependent Clp protease proteolytic subunit,ATP-dependent Clp protease proteolytic subunit",Cc1ccc(NC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)cc1,793.8689999999997,2.1614200000000023,186.56,6,57,4,8,0.32079028010611677
6pka,2.25,2019,OO1-MP8,b,1-7,kd,=,1.19,uM,-5.924453038607469,MOAD,Kd=1.19uM,"Q2G036,Q2G036","ATP-dependent Clp protease proteolytic subunit,ATP-dependent Clp protease proteolytic subunit",Cc1ccc(NC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)cc1,793.8689999999997,2.1614200000000023,186.56,6,57,4,8,0.32079028010611677
6pka,2.25,2019,OO1-MP8,c,1-7,kd,=,1.19,uM,-5.924453038607469,MOAD,Kd=1.19uM,"Q2G036,Q2G036","ATP-dependent Clp protease proteolytic subunit,ATP-dependent Clp protease proteolytic subunit",Cc1ccc(NC(=O)N[C@@H](Cc2cc(F)cc(F)c2)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)cc1,793.8689999999997,2.1614200000000023,186.56,6,57,4,8,0.32079028010611677
6pu3,1.8,2019,SER-ALA,B,1-4,kd,=,7.06,uM,-5.151195298948196,MOAD,Kd=7.06uM,A0A3Q9Y393,Heme-binding protein A,C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CO)[C@@H](C)O)C(=O)[O-],364.35500000000013,-6.813499999999999,215.76,10,25,7,8,0.19703892370367243
6q3q,2.0,2018,GLY-ASP,a,0-7,kd,=,35.2,uM,-4.453457336521869,MOAD,Kd=35.2uM,"F4KCL7,F4KCL7","Outer envelope protein 64, mitochondrial,Outer envelope protein 64, mitochondrial",CSCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)C[NH3+])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])C(C)C,891.955,-11.614399999999991,439.7299999999999,32,61,10,17,0.02803620481693339
6q3q,2.0,2018,GLY-ASP,b,0-7,kd,=,35.2,uM,-4.453457336521869,MOAD,Kd=35.2uM,"F4KCL7,F4KCL7","Outer envelope protein 64, mitochondrial,Outer envelope protein 64, mitochondrial",CSCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CO)NC(=O)C[NH3+])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])C(C)C,891.955,-11.614399999999991,439.7299999999999,32,61,10,17,0.02803620481693339
6syi,1.6,2020,ASP-LYS,B,2-11,ic50,=,13.0,nM,-7.886056647693163,MOAD,ic50=13.0nM,D4HIS2,Polymerase acidic protein,CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CC(=O)[O-])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-],1285.508,-4.07860000000003,472.1999999999998,38,92,13,16,0.02427772876194876
6te4,2.29,2020,PRO-LYS,C,564-569,kd,=,24.0,uM,-4.619788758288394,MOAD,Kd=24.0uM,Q9HWL8,Tse8,CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-],612.7489999999999,-5.137200000000011,241.32,17,43,7,8,0.0781679961659986
6tmo,2.1,2020,GLU-VAL,C,1-10,kd,=,0.75,nM,-9.1249387366083,MOAD,Kd=0.75nM,A0A5B8RNS7,MHC class I antigen,CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CCC(=O)[O-])C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)[C@@H](C)O)[C@@H](C)CC,942.1020000000001,-6.282200000000025,390.0299999999999,30,66,11,14,0.031942706671731755
6v2o,1.27,2020,ALA-TRP,C,1-10,kd,=,48.7,uM,-4.3124710387853655,MOAD,Kd=48.7uM,"P61769,U6BR87","Beta-2-microglobulin,MHC class I antigen",CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])C(C)C,1057.2169999999999,-5.411800000000019,420.2199999999999,29,75,13,14,0.03620354666821837
6v2p,1.3,2020,ALA-TRP,C,1-10,kd,=,56.4,uM,-4.248720896016658,MOAD,Kd=56.4uM,"P61769,I3ZN84","Beta-2-microglobulin,HLA-B alpha chain (B*5703GB)",CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])C(C)C,1057.2169999999999,-5.411800000000024,420.2199999999999,29,75,13,14,0.03620354666821837
6way,1.5,2020,ACE-NH2,V,1085-1094,kd,=,0.15,uM,-6.823908740944319,MOAD,Kd=0.15uM,P20936,Ras GTPase-activating protein 1,CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OP(=O)([O-])[O-])cc1)NC(=O)[C@H](CC(=O)[O-])NC(C)=O)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](C)C(N)=O,1026.9489999999996,-9.07060000000002,459.90999999999985,29,70,8,20,0.03454688429130591
6wf3,2.291,2020,ACE-NH2,G,1-6,ic50,=,30.0,nM,-7.522878745280337,MOAD,ic50=30.0nM,"Q9GZZ1,Q9GZZ1","N-alpha-acetyltransferase 50,N-alpha-acetyltransferase 50",CSCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(N)=O,457.5970000000003,-0.6323999999999961,150.70000000000002,12,31,4,6,0.3062601304682483
6wf3,2.291,2020,ACE-NH2,H,1-6,ic50,=,30.0,nM,-7.522878745280337,MOAD,ic50=30.0nM,"Q9GZZ1,Q9GZZ1","N-alpha-acetyltransferase 50,N-alpha-acetyltransferase 50",CSCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(N)=O,457.5970000000003,-0.6323999999999961,150.70000000000002,12,31,4,6,0.3062601304682483
6wf3,2.291,2020,ACE-NH2,I,1-6,ic50,=,30.0,nM,-7.522878745280337,MOAD,ic50=30.0nM,Q9GZZ1,N-alpha-acetyltransferase 50,CSCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(N)=O,457.5970000000003,-0.6323999999999961,150.70000000000002,12,31,4,6,0.3062601304682483
6wf3,2.291,2020,ACE-NH2,J,1-6,ic50,=,30.0,nM,-7.522878745280337,MOAD,ic50=30.0nM,Q9GZZ1,N-alpha-acetyltransferase 50,CSCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(N)=O,457.5970000000003,-0.6323999999999961,150.70000000000002,12,31,4,6,0.3062601304682483
6wf3,2.291,2020,ACE-NH2,K,1-6,ic50,=,30.0,nM,-7.522878745280337,MOAD,ic50=30.0nM,"Q9GZZ1,Q9GZZ1","N-alpha-acetyltransferase 50,N-alpha-acetyltransferase 50",CSCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(N)=O,457.5970000000003,-0.6323999999999961,150.70000000000002,12,31,4,6,0.3062601304682483
6wf3,2.291,2020,ACE-NH2,L,1-6,ic50,=,30.0,nM,-7.522878745280337,MOAD,ic50=30.0nM,Q9GZZ1,N-alpha-acetyltransferase 50,CSCC[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(N)=O,457.5970000000003,-0.6323999999999961,150.70000000000002,12,31,4,6,0.3062601304682483
7c66,2.3,2020,GLC-BGC,C,1-2,kd,=,0.13,uM,-6.886056647693163,MOAD,Kd=0.13uM,Q53W80,"Sugar ABC transporter, periplasmic sugar-binding protein",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.297,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
7c66,2.3,2020,GLC-BGC,D,1-2,kd,=,0.13,uM,-6.886056647693163,MOAD,Kd=0.13uM,"Q53W80,Q53W80","Sugar ABC transporter, periplasmic sugar-binding protein,Sugar ABC transporter, periplasmic sugar-binding protein",OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O,342.297,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
7c6h,1.85,2020,BGC-BGC,C,1-2,kd,=,450.0,uM,-3.3467874862246565,MOAD,Kd=450.0uM,"Q53W80,Q53W80","Sugar ABC transporter, periplasmic sugar-binding protein,Sugar ABC transporter, periplasmic sugar-binding protein",OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,342.297,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
7c6h,1.85,2020,BGC-BGC,D,1-2,kd,=,450.0,uM,-3.3467874862246565,MOAD,Kd=450.0uM,Q53W80,"Sugar ABC transporter, periplasmic sugar-binding protein",OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,342.297,-5.397199999999992,189.52999999999997,4,23,8,11,0.24325846760776557
7cdx,2.103,2020,GLC-FRU,C,1-2,kd,=,42.7,uM,-4.369572124974976,MOAD,Kd=42.7uM,A0A2I4PGE9,LacI-type transcription factor,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,342.297,-5.395599999999992,189.52999999999997,5,23,8,11,0.2378914345193498
7cdx,2.103,2020,GLC-FRU,D,1-2,kd,=,42.7,uM,-4.369572124974976,MOAD,Kd=42.7uM,A0A2I4PGE9,LacI-type transcription factor,OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O,342.297,-5.395599999999992,189.52999999999997,5,23,8,11,0.2378914345193498
7hvp,2.4,1993,ACE-VME,C,0-6,ki,=,0.24,nM,-9.619788758288394,MOAD,Ki=0.24nM,"P03369,P03369","HIV-1 PROTEASE,HIV-1 PROTEASE",CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@H](C(=O)OC)C(C)C,862.0589999999999,-2.6451000000000073,288.89,25,61,10,11,0.04537001016061183
8hvp,2.5,1993,VAL-VAL,I,1-8,ki,<,1.0,nM,-9.0,MOAD,Ki<1.0nM,"P03369,P03369","HIV-1 PROTEASE,HIV-1 PROTEASE",CC[C@H](C)[C@H](NC(=O)[C@@H](C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]([NH3+])C(C)C)C(C)C)C(=O)N[C@H](C(=O)[O-])C(C)C,872.0750000000002,-4.183800000000012,369.00999999999993,29,61,11,12,0.03411710384643011