PDBID stringlengths 4 4 | Resolution stringlengths 1 13 | Year int64 1.98k 2.02k | Ligand Name stringlengths 1 7 | Ligand Chain stringclasses 53
values | Ligand Residue Number stringlengths 1 9 | Binding Affinity Measurement stringclasses 4
values | Binding Affinity Sign stringclasses 6
values | Binding Affinity Value float64 0 500M | Binding Affinity Unit stringclasses 6
values | Log Binding Affinity float64 -14 2.97 ⌀ | Binding Affinity Source stringclasses 3
values | Binding Affinity Annotation stringlengths 6 72 | Protein UniProtID stringlengths 6 55 ⌀ | Protein UniProtName stringlengths 2 575 ⌀ | Ligand SMILES stringlengths 4 352 | Ligand MW float64 44 1.82k | Ligand LogP float64 -23.01 13.7 | Ligand TPSA float64 0 786 | Ligand NumRotBond int64 0 59 | Ligand NumHeavyAtoms int64 3 120 | Ligand NumHDon int64 0 30 | Ligand NumHAcc int64 0 56 | Ligand QED float64 0.01 0.95 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
7rlj | NMR | 2,021 | JDP | F | 803 | ki | = | 26 | nM | -7.585027 | BindingDB | IC50=1030nM,Ki=26nM | P55072,P55072 | Transitional endoplasmic reticulum ATPase,Transitional endoplasmic reticulum ATPase | Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2 | 413.481 | 3.51262 | 95.06 | 5 | 31 | 2 | 6 | 0.522051 |
7rlj | NMR | 2,021 | JDP | G | 803 | ki | = | 26 | nM | -7.585027 | BindingDB | IC50=1030nM,Ki=26nM | P55072,P55072 | Transitional endoplasmic reticulum ATPase,Transitional endoplasmic reticulum ATPase | Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2 | 413.481 | 3.51262 | 95.06 | 5 | 31 | 2 | 6 | 0.522051 |
7rlj | NMR | 2,021 | JDP | H | 803 | ki | = | 26 | nM | -7.585027 | BindingDB | IC50=1030nM,Ki=26nM | P55072,P55072 | Transitional endoplasmic reticulum ATPase,Transitional endoplasmic reticulum ATPase | Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2 | 413.481 | 3.51262 | 95.06 | 5 | 31 | 2 | 6 | 0.522051 |
7rlj | NMR | 2,021 | JDP | I | 803 | ki | = | 26 | nM | -7.585027 | BindingDB | IC50=1030nM,Ki=26nM | P55072,P55072 | Transitional endoplasmic reticulum ATPase,Transitional endoplasmic reticulum ATPase | Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2 | 413.481 | 3.51262 | 95.06 | 5 | 31 | 2 | 6 | 0.522051 |
7rlj | NMR | 2,021 | JDP | J | 803 | ki | = | 26 | nM | -7.585027 | BindingDB | IC50=1030nM,Ki=26nM | P55072,P55072 | Transitional endoplasmic reticulum ATPase,Transitional endoplasmic reticulum ATPase | Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2 | 413.481 | 3.51262 | 95.06 | 5 | 31 | 2 | 6 | 0.522051 |
7rlj | NMR | 2,021 | JDP | K | 803 | ki | = | 26 | nM | -7.585027 | BindingDB | IC50=1030nM,Ki=26nM | P55072,P55072 | Transitional endoplasmic reticulum ATPase,Transitional endoplasmic reticulum ATPase | Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2 | 413.481 | 3.51262 | 95.06 | 5 | 31 | 2 | 6 | 0.522051 |
7rlj | NMR | 2,021 | JDP | L | 803 | ki | = | 26 | nM | -7.585027 | BindingDB | IC50=1030nM,Ki=26nM | P55072,P55072 | Transitional endoplasmic reticulum ATPase,Transitional endoplasmic reticulum ATPase | Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2 | 413.481 | 3.51262 | 95.06 | 5 | 31 | 2 | 6 | 0.522051 |
7s3k | 1.9 | 2,021 | Z26 | A | 401 | ic50 | = | 1,350 | nM | -5.869666 | BindingDB | IC50=1350nM | P0DTD1 | 3C-like proteinase | COc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12 | 326.783 | 4.078 | 51.22 | 4 | 23 | 1 | 3 | 0.785675 |
7s3s | 2.0 | 2,021 | 860 | A | 401 | ic50 | = | 728 | nM | -6.137869 | BindingDB | IC50=728nM | P0DTD1 | 3C-like proteinase | O=C(Cc1cccc(Cl)c1)Nc1cncc2ccccc12 | 296.757 | 4.0694 | 41.99 | 3 | 21 | 1 | 2 | 0.791409 |
7slv | 2.13 | 2,022 | 9TC | A | 502 | ic50 | = | 7.66 | nM | -8.115771 | BindingDB | IC50=7.66nM | O95497 | Pantetheinase | O=C(c1cnc(NCc2cnccn2)nc1)N1CCC2(CCOCC2)C1 | 354.414 | 1.5214 | 93.13 | 4 | 26 | 1 | 7 | 0.889571 |
7slx | 2.35 | 2,022 | 9SS | A | 502 | ic50 | = | 1,177 | nM | -5.929224 | BindingDB | IC50=1177nM | O95497 | Pantetheinase | N#C[C@@H]1CCCN(C(=O)c2cnc(NC3(c4cncnc4)CC3)nc2)C1 | 349.398 | 1.74358 | 107.69 | 4 | 26 | 1 | 7 | 0.895443 |
7sly | 2.17 | 2,022 | 9S5 | A | 502 | ic50 | = | 0.242 | nM | -9.616185 | BindingDB | IC50=0.242nM | O95497 | Pantetheinase | C[C@H](Nc1ncc(C(=O)N2CCC3(CCOCC3)C2)cn1)c1cnccn1 | 368.441 | 2.0824 | 93.13 | 4 | 27 | 1 | 7 | 0.882945 |
7std | 1.8 | 1,999 | CRP | A | 600 | ki | = | 19 | pM | -10.721246 | MOAD | Ki=19.0pM | P56221,P56221 | Scytalone dehydratase,Scytalone dehydratase | CC[C@@]1(C(=O)N[C@H](C)c2ccc(Cl)cc2)[C@@H](C)C1(Cl)Cl | 334.674 | 4.7372 | 29.1 | 4 | 20 | 1 | 1 | 0.791879 |
7std | 1.8 | 1,999 | CRP | B | 601 | ki | = | 19 | pM | -10.721246 | MOAD | Ki=19.0pM | P56221,P56221 | Scytalone dehydratase,Scytalone dehydratase | CC[C@@]1(C(=O)N[C@H](C)c2ccc(Cl)cc2)[C@@H](C)C1(Cl)Cl | 334.674 | 4.7372 | 29.1 | 4 | 20 | 1 | 1 | 0.791879 |
7std | 1.8 | 1,999 | CRP | C | 602 | ki | = | 19 | pM | -10.721246 | MOAD | Ki=19.0pM | P56221,P56221 | Scytalone dehydratase,Scytalone dehydratase | CC[C@@]1(C(=O)N[C@H](C)c2ccc(Cl)cc2)[C@@H](C)C1(Cl)Cl | 334.674 | 4.7372 | 29.1 | 4 | 20 | 1 | 1 | 0.791879 |
7svd | NMR | 2,022 | VX8 | A | 1511 | ec50 | = | 2,600 | nM | -5.585027 | BindingDB | EC50=2600nM | P13569 | Cystic fibrosis transmembrane conductance regulator | Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)[O-])c1 | 451.405 | 3.41232 | 100.58 | 5 | 33 | 1 | 6 | 0.638217 |
7svr | NMR | 2,022 | VX8 | A | 1501 | ec50 | = | 2,600 | nM | -5.585027 | BindingDB | EC50=2600nM | P13569 | Cystic fibrosis transmembrane conductance regulator | Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)[O-])c1 | 451.405 | 3.41232 | 100.58 | 5 | 33 | 1 | 6 | 0.638217 |
7upj | 2.0 | 1,997 | INU | A | 100 | ki | = | 3.2 | nM | -8.49485 | MOAD | Ki=3.2nM | P03367,P03367 | HIV-1 PROTEASE,HIV-1 PROTEASE | O=c1oc2c(c(O)c1[C@H](c1cccc(NS(=O)(=O)c3ccccc3)c1)C1CC1)CCCCCC2 | 479.598 | 5.3471 | 96.61 | 6 | 34 | 2 | 5 | 0.496968 |
7vfw | NMR | 2,021 | 6I7 | A | 2420 | ic50 | = | 16 | nM | -7.79588 | BindingDB | IC50=16nM | Q00975 | Voltage-dependent N-type calcium channel subunit alpha-1B | COc1ccccc1-n1nc(C2CC(C)(C)OC(C)(C)C2)cc1-c1ccc(Cl)cc1 | 424.972 | 6.6525 | 36.28 | 4 | 30 | 0 | 4 | 0.469822 |
7vkn | 2.7 | 2,021 | 7GI | A | 801 | ic50 | = | 0.4 | nM | -9.39794 | BindingDB | IC50=0.400000nM | P04629 | Tyrosine-protein kinase receptor | C[C@H]1CNC(=O)c2cnn3ccc(nc23)N[C@H](C)c2cc(F)ccc2O1 | 355.373 | 2.5522 | 80.55 | 0 | 26 | 2 | 6 | 0.647765 |
7vko | 2.9 | 2,021 | 7GI | A | 801 | ic50 | = | 0.4 | nM | -9.39794 | BindingDB | IC50=0.400000nM | P04629 | Tyrosine-protein kinase receptor | C[C@H]1CNC(=O)c2cnn3ccc(nc23)N[C@H](C)c2cc(F)ccc2O1 | 355.373 | 2.5522 | 80.55 | 0 | 26 | 2 | 6 | 0.647765 |
7vnp | NMR | 2,021 | 7YV | A | 1108 | ec50 | = | 1,600 | nM | -5.79588 | BindingDB | EC50=1600nM | P56696,P56696 | Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein,Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein | Cc1cc(C)c(NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)c(C)c1 | 257.377 | 3.98656 | 29.1 | 2 | 19 | 1 | 1 | 0.85254 |
7vnp | NMR | 2,021 | 7YV | A | 1107 | ec50 | = | 1,600 | nM | -5.79588 | BindingDB | EC50=1600nM | P56696,P56696,P56696 | Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein,Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein,Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein | Cc1cc(C)c(NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)c(C)c1 | 257.377 | 3.98656 | 29.1 | 2 | 19 | 1 | 1 | 0.85254 |
7vnp | NMR | 2,021 | 7YV | C | 1103 | ec50 | = | 1,600 | nM | -5.79588 | BindingDB | EC50=1600nM | P56696,P56696 | Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein,Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein | Cc1cc(C)c(NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)c(C)c1 | 257.377 | 3.98656 | 29.1 | 2 | 19 | 1 | 1 | 0.85254 |
7vnp | NMR | 2,021 | 7YV | E | 1103 | ec50 | = | 1,600 | nM | -5.79588 | BindingDB | EC50=1600nM | P56696,P56696 | Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein,Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein | Cc1cc(C)c(NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)c(C)c1 | 257.377 | 3.98656 | 29.1 | 2 | 19 | 1 | 1 | 0.85254 |
7vnq | NMR | 2,021 | 7YV | A | 1101 | ec50 | = | 1,600 | nM | -5.79588 | BindingDB | EC50=1600nM | P56696,P56696,P56696 | Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein,Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein,Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein | Cc1cc(C)c(NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)c(C)c1 | 257.377 | 3.98656 | 29.1 | 2 | 19 | 1 | 1 | 0.85254 |
7vnq | NMR | 2,021 | 7YV | C | 1101 | ec50 | = | 1,600 | nM | -5.79588 | BindingDB | EC50=1600nM | P56696,P56696,P56696 | Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein,Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein,Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein | Cc1cc(C)c(NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)c(C)c1 | 257.377 | 3.98656 | 29.1 | 2 | 19 | 1 | 1 | 0.85254 |
7vnq | NMR | 2,021 | 7YV | E | 1101 | ec50 | = | 1,600 | nM | -5.79588 | BindingDB | EC50=1600nM | P56696,P56696,P56696 | Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein,Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein,Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein | Cc1cc(C)c(NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)c(C)c1 | 257.377 | 3.98656 | 29.1 | 2 | 19 | 1 | 1 | 0.85254 |
7vnq | NMR | 2,021 | 7YV | G | 1101 | ec50 | = | 1,600 | nM | -5.79588 | BindingDB | EC50=1600nM | P56696,P56696,P56696 | Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein,Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein,Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein | Cc1cc(C)c(NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)c(C)c1 | 257.377 | 3.98656 | 29.1 | 2 | 19 | 1 | 1 | 0.85254 |
7vnr | NMR | 2,021 | 7YV | A | 1101 | ec50 | = | 1,600 | nM | -5.79588 | BindingDB | EC50=1600nM | P56696,P56696 | Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein,Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein | Cc1cc(C)c(NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)c(C)c1 | 257.377 | 3.98656 | 29.1 | 2 | 19 | 1 | 1 | 0.85254 |
7vnr | NMR | 2,021 | 7YV | C | 1101 | ec50 | = | 1,600 | nM | -5.79588 | BindingDB | EC50=1600nM | P56696,P56696 | Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein,Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein | Cc1cc(C)c(NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)c(C)c1 | 257.377 | 3.98656 | 29.1 | 2 | 19 | 1 | 1 | 0.85254 |
7vnr | NMR | 2,021 | 7YV | E | 1101 | ec50 | = | 1,600 | nM | -5.79588 | BindingDB | EC50=1600nM | P56696,P56696 | Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein,Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein | Cc1cc(C)c(NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)c(C)c1 | 257.377 | 3.98656 | 29.1 | 2 | 19 | 1 | 1 | 0.85254 |
7vnr | NMR | 2,021 | 7YV | G | 1101 | ec50 | = | 1,600 | nM | -5.79588 | BindingDB | EC50=1600nM | P56696,P56696 | Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein,Potassium voltage-gated channel subfamily KQT member 4,Maltodextrin-binding protein | Cc1cc(C)c(NC(=O)[C@H]2C[C@@H]3CC[C@H]2C3)c(C)c1 | 257.377 | 3.98656 | 29.1 | 2 | 19 | 1 | 1 | 0.85254 |
7vsi | NMR | 2,021 | 7R3 | A | 703 | ic50 | = | 3.1 | nM | -8.508638 | BindingDB | IC50=3.1nM,EC50=3.0nM | P31639 | Sodium/glucose cotransporter 2 | OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O | 450.915 | 1.6134 | 108.61 | 6 | 31 | 4 | 7 | 0.529157 |
7wf7 | NMR | 2,022 | S1P | A | 401 | ic50 | = | 1.4 | nM | -8.853872 | BindingDB | IC50=1.40nM,EC50=4.3nM | P21453 | Sphingosine 1-phosphate receptor 1 | CCCCCCCCCCCCCC=C[C@@H](O)[C@@H]([NH3+])COP(=O)([O-])[O-] | 378.47 | 2.0604 | 120.29 | 17 | 25 | 2 | 5 | 0.227956 |
830c | 1.6 | 1,999 | RS1 | A | 1 | ki | = | 0.52 | nM | -9.283997 | MOAD | Ki=0.52nM | P45452,P45452 | MMP-13,MMP-13 | O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 | 425.89 | 3.2082 | 101.93 | 6 | 28 | 2 | 6 | 0.543924 |
830c | 1.6 | 1,999 | RS1 | B | 1 | ki | = | 0.52 | nM | -9.283997 | MOAD | Ki=0.52nM | P45452,P45452 | MMP-13,MMP-13 | O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1 | 425.89 | 3.2082 | 101.93 | 6 | 28 | 2 | 6 | 0.543924 |
8a3h | 0.97 | 2,000 | IDC | A | 500 | ki | = | 88 | uM | -4.055517 | MOAD | Ki=88.0uM | O85465 | PROTEIN (ENDOGLUCANASE) | OC[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](O)c2nccn21 | 362.335 | -3.9905 | 177.89 | 4 | 25 | 7 | 11 | 0.27917 |
8abp | 1.49 | 1,991 | GAL | A | 308 | kd | = | 0.01 | uM | -8 | MOAD | Kd=0.01uM | P02924 | L-ARABINOSE-BINDING PROTEIN | OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O | 180.156 | -3.2214 | 110.38 | 1 | 12 | 5 | 6 | 0.290153 |
8abp | 1.49 | 1,991 | GLA | A | 307 | kd | = | 0.01 | uM | -8 | MOAD | Kd=0.01uM | P02924 | L-ARABINOSE-BINDING PROTEIN | OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O | 180.156 | -3.2214 | 110.38 | 1 | 12 | 5 | 6 | 0.290153 |
8cat | 2.5 | 1,985 | NDP | A | 508 | kd | < | 10 | nM | -8 | MOAD | Kd<10.0nM | P00432 | CATALASE | NC(=O)C1=CN([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)([O-])[O-])[C@H]3O)[C@@H](O)[C@H]2O)C=CC1 | 741.393 | -5.0974 | 375.47 | 13 | 48 | 5 | 23 | 0.119838 |
8cat | 2.5 | 1,985 | NDP | B | 508 | kd | < | 10 | nM | -8 | MOAD | Kd<10.0nM | P00432 | CATALASE | NC(=O)C1=CN([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)([O-])[O-])[C@H]3O)[C@@H](O)[C@H]2O)C=CC1 | 741.393 | -5.0974 | 375.47 | 13 | 48 | 5 | 23 | 0.119838 |
8cpa | 2.0 | 1,994 | AGF | A | 309 | ki | = | 710 | pM | -9.148742 | MOAD | Ki=710.0pM | P00730 | CARBOXYPEPTIDASE A | C[C@H](NC(=O)OCc1ccccc1)C(=O)NC[P@@](=O)([O-])O[C@@H](Cc1ccccc1)C(=O)[O-] | 462.395 | 0.3062 | 156.92 | 11 | 32 | 2 | 8 | 0.451797 |
8gpb | 2.2 | 1,992 | AMP | A | 930 | kd | = | 250 | uM | -3.60206 | MOAD | Kd=250.0uM | P00489 | GLYCOGEN PHOSPHORYLASE B | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 345.208 | -3.127 | 191.73 | 4 | 23 | 3 | 12 | 0.474435 |
8gpb | 2.2 | 1,992 | AMP | A | 940 | kd | = | 250 | uM | -3.60206 | MOAD | Kd=250.0uM | P00489 | GLYCOGEN PHOSPHORYLASE B | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 345.208 | -3.127 | 191.73 | 4 | 23 | 3 | 12 | 0.474435 |
8nse | 2.25 | 2,001 | NRG | A | 705 | ki | = | 750 | nM | -6.124939 | BindingDB | IC50=1200nM,Ki=750nM | P29473 | PROTEIN (NITRIC OXIDE SYNTHASE) | [NH2+]=C(NCCC[C@H]([NH3+])C(=O)[O-])N[N+](=O)[O-] | 220.209 | -5.387 | 160.56 | 6 | 15 | 4 | 4 | 0.114766 |
8nse | 2.25 | 2,001 | NRG | B | 706 | ki | = | 750 | nM | -6.124939 | BindingDB | IC50=1200nM,Ki=750nM | P29473 | PROTEIN (NITRIC OXIDE SYNTHASE) | [NH2+]=C(NCCC[C@H]([NH3+])C(=O)[O-])N[N+](=O)[O-] | 220.209 | -5.387 | 160.56 | 6 | 15 | 4 | 4 | 0.114766 |
966c | 1.9 | 1,999 | RS2 | A | 1 | ki | = | 23 | nM | -7.638272 | MOAD | Ki=23.0nM | P03956 | MMP-1 | O=C(CC1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1)NO | 391.445 | 2.6973 | 101.93 | 6 | 27 | 2 | 6 | 0.579855 |
9abp | 1.97 | 1,992 | GLA | A | 307 | kd | = | 0.01 | uM | -8 | MOAD | Kd=0.01uM | P02924 | L-ARABINOSE-BINDING PROTEIN | OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O | 180.156 | -3.2214 | 110.38 | 1 | 12 | 5 | 6 | 0.290153 |
9abp | 1.97 | 1,992 | GAL | A | 308 | kd | = | 0.01 | uM | -8 | MOAD | Kd=0.01uM | P02924 | L-ARABINOSE-BINDING PROTEIN | OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O | 180.156 | -3.2214 | 110.38 | 1 | 12 | 5 | 6 | 0.290153 |
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