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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1k1i | 2.2 | 2,001 | FD1 | A | 999 | kd | = | 264 | nM | -6.578396 | MOAD | Kd=264.0nM | P00760 | TRYPSIN | NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 | 508.6 | -0.6752 | 158.22 | 8 | 36 | 3 | 5 | 0.270275 |
1k1j | 2.2 | 2,001 | FD2 | A | 999 | kd | = | 28 | nM | -7.552842 | MOAD | Kd=28.0nM | P00760 | TRYPSIN | COC(=O)C1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 | 523.635 | 0.6054 | 144.39 | 8 | 37 | 3 | 5 | 0.224133 |
1k1l | 2.5 | 2,001 | FD3 | A | 999 | kd | = | 125 | nM | -6.90309 | MOAD | Kd=125.0nM | P00760 | TRYPSIN | NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CC[NH2+]CC2)c1 | 467.595 | -1.4006 | 134.7 | 7 | 33 | 4 | 3 | 0.251073 |
1k1m | 2.2 | 2,001 | FD4 | A | 999 | kd | = | 40 | nM | -7.39794 | MOAD | Kd=40.0nM | P00760 | TRYPSIN | CC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2ccc3ccccc3c2)CC1 | 508.624 | -0.1155 | 138.4 | 7 | 36 | 3 | 4 | 0.301867 |
1k1n | 2.0 | 2,001 | CCR | A | 999 | kd | = | 153 | nM | -6.815309 | MOAD | Kd=153.0nM | P00760 | TRYPSIN | COc1cc(C)c(S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@H](Cc2ccc(C(N)=[NH2+])cc2)C(=O)N2CCCCC2)c(C)c1C | 601.726 | -1.38824 | 196.55 | 12 | 42 | 4 | 7 | 0.168475 |
1k1o | 2.0 | 2,001 | IGN | A | 999 | ki | = | 675 | nM | -6.170696 | BindingDB | Ki=675nM | P00760 | TRYPSIN | NC(=[NH2+])NCCCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC1CCCCC1)[NH2+]CC(=O)[O-] | 439.581 | -3.8105 | 169.79 | 11 | 31 | 5 | 4 | 0.125499 |
1k1p | 1.9 | 2,001 | MEL | A | 999 | ic50 | = | 11 | nM | -7.958607 | BindingDB | IC50=11nM | P00760 | TRYPSIN | NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H]([NH2+]CC(=O)[O-])C2CCCCC2)cc1 | 430.529 | -3.3697 | 157.76 | 9 | 31 | 4 | 4 | 0.237487 |
1k21 | 1.86 | 2,002 | IGN | H | 999 | ki | = | 4.2 | nM | -8.376751 | MOAD | Ki=4.2nM | P00734,P00734 | Prothrombin,Prothrombin | NC(=[NH2+])NCCCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](CC1CCCCC1)[NH2+]CC(=O)[O-] | 439.581 | -3.8105 | 169.79 | 11 | 31 | 5 | 4 | 0.125499 |
1k22 | 1.93 | 2,002 | MEL | H | 999 | ki | = | 4 | nM | -8.39794 | MOAD | Ki=4.0nM | P00734,P00734 | Prothrombin,Prothrombin | NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H]([NH2+]CC(=O)[O-])C2CCCCC2)cc1 | 430.529 | -3.3697 | 157.76 | 9 | 31 | 4 | 4 | 0.237487 |
1k27 | 1.95 | 2,003 | MTM | A | 401 | ki | = | 1 | nM | -9 | MOAD | Ki=1.0nM | Q13126 | 5'-Deoxy-5'-Methylthioadenosine Phosphorylase | CSC[C@H]1[NH2+][C@@H](c2c[nH]c3c(N)ncnc23)[C@H](O)[C@@H]1O | 296.376 | -1.3884 | 124.66 | 3 | 20 | 5 | 6 | 0.474908 |
1k2r | 2.15 | 2,003 | NRG | B | 2775 | ki | = | 610 | nM | -6.21467 | BindingDB | IC50=5000nM,Ki=610nM | P29476 | 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 |
1k2r | 2.15 | 2,003 | NRG | A | 1775 | ki | = | 610 | nM | -6.21467 | BindingDB | IC50=5000nM,Ki=610nM | P29476 | 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 |
1k3t | 1.95 | 2,002 | BRZ | C | 960 | ic50 | = | 64 | uM | -4.19382 | MOAD | ic50=64.0uM | P22513,P22513 | Glyceraldehyde-3-phosphate dehydrogenase,Glyceraldehyde-3-phosphate dehydrogenase | C=CC(C)(C)c1cc2cc3c(cc2oc1=O)O[C@H](C(C)(C)O)C3 | 314.381 | 3.331 | 59.67 | 3 | 23 | 1 | 4 | 0.697144 |
1k4g | 1.7 | 2,002 | AIQ | A | 900 | ki | = | 1.4 | uM | -5.853872 | MOAD | Ki=1.4uM | P28720 | TRNA-GUANINE TRANSGLYCOSYLASE | Nc1cc(CSc2ncc[nH]2)c2nc(N)[nH]c(=O)c2c1 | 288.336 | 1.1029 | 126.47 | 3 | 20 | 4 | 6 | 0.422082 |
1k4h | 1.8 | 2,002 | APQ | A | 900 | ki | = | 7.7 | uM | -5.113509 | MOAD | Ki=7.7uM | P28720 | TRNA-GUANINE-TRANSGLYCOSYLASE | CCCSCc1cc(N)cc2c(=O)[nH]c(N)nc12 | 264.354 | 1.7307 | 97.79 | 4 | 18 | 3 | 5 | 0.576826 |
1k5q | 2.34 | 2,003 | PAC | B | 559 | ki | = | 1.1 | mM | -2.958607 | MOAD | Ki=1.1mM | P06875,P06875 | PENICILLIN G ACYLASE ALPHA SUBUNIT,PENICILLIN G ACYLASE BETA SUBUNIT | O=C([O-])Cc1ccccc1 | 135.142 | -0.021 | 40.13 | 2 | 10 | 0 | 2 | 0.571343 |
1k5s | 2.43 | 2,003 | GRO | B | 601 | ki | = | 0.124 | mM | -3.906578 | MOAD | Ki=0.124mM | P06875,P06875 | PENICILLIN G ACYLASE ALPHA SUBUNIT,PENICILLIN G ACYLASE BETA SUBUNIT | C[C@@H](C(=O)[O-])c1ccccc1 | 149.169 | 0.54 | 40.13 | 2 | 11 | 0 | 2 | 0.615327 |
1k6c | 2.2 | 2,002 | MK1 | B | 902 | kd | = | 33 | nM | -7.481486 | MOAD | Kd=33.0nM | P35963,P35963 | POL polyprotein,POL polyprotein | CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O | 614.811 | 1.4498 | 119.23 | 11 | 45 | 5 | 6 | 0.223265 |
1k6p | 2.2 | 2,002 | XN3 | B | 807 | kd | = | 44 | nM | -7.356547 | MOAD | Kd=44.0nM | P35963,P35963 | POL polyprotein,POL polyprotein | CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2ccc3c(c2)OCO3)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O | 657.832 | 1.7835 | 124.8 | 11 | 48 | 5 | 7 | 0.213133 |
1k6t | 2.25 | 2,002 | XN1 | B | 509 | kd | = | 24 | nM | -7.619789 | MOAD | Kd=24.0nM | P35963,P35963 | POL polyprotein,POL polyprotein | C[C@H](c1ccccc1)[C@H](C[C@H](O)C[N@@H+]1CCN(Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C)C(=O)N[C@H]1c2ccccc2C[C@H]1O | 628.838 | 2.0108 | 119.23 | 11 | 46 | 5 | 6 | 0.221865 |
1k6v | 2.0 | 2,002 | XN2 | B | 252 | kd | = | 120 | nM | -6.920819 | MOAD | Kd=120.0nM | P35963,P35963 | POL polyprotein,POL polyprotein | C[C@H](c1ccccc1)[C@H](C[C@H](O)C[N@@H+]1CCN(Cc2ccc3c(c2)OCO3)C[C@H]1C(=O)NC(C)(C)C)C(=O)N[C@H]1c2ccccc2C[C@H]1O | 671.859 | 2.3445 | 124.8 | 11 | 49 | 5 | 7 | 0.212169 |
1k74 | 2.3 | 2,001 | 9CR | A | 463 | kd | = | 240 | nM | -6.619789 | BindingDB | EC50=100nM,Ki=583nM,IC50=32nM,Kd=240nM | P19793 | Retinoic acid receptor RXR-alpha | CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)[O-])C(C)(C)CCC1 | 299.434 | 4.2679 | 40.13 | 5 | 22 | 0 | 2 | 0.561654 |
1k7d | 2.15 | 2,003 | GRO | B | 601 | ki | = | 0.47 | mM | -3.327902 | MOAD | Ki=0.47mM | P06875,P06875 | Penicillin Acylase alpha subunit,penicillin Acylase beta subunit | C[C@@H](C(=O)[O-])c1ccccc1 | 149.169 | 0.54 | 40.13 | 2 | 11 | 0 | 2 | 0.615327 |
1k7l | 2.5 | 2,001 | 544 | A | 469 | ec50 | = | 240 | nM | -6.619789 | BindingDB | EC50=240nM | Q07869 | Peroxisome proliferator activated receptor alpha | C/C(=C/C(=O)c1ccccc1)N[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)[O-] | 509.582 | 4.30882 | 104.49 | 12 | 38 | 1 | 7 | 0.224156 |
1k7l | 2.5 | 2,001 | 544 | C | 470 | ec50 | = | 240 | nM | -6.619789 | BindingDB | EC50=240nM | Q07869 | Peroxisome proliferator activated receptor alpha | C/C(=C/C(=O)c1ccccc1)N[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)[O-] | 509.582 | 4.30882 | 104.49 | 12 | 38 | 1 | 7 | 0.224156 |
1k7l | 2.5 | 2,001 | 544 | E | 501 | ec50 | = | 240 | nM | -6.619789 | BindingDB | EC50=240nM | Q07869 | Peroxisome proliferator activated receptor alpha | C/C(=C/C(=O)c1ccccc1)N[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)[O-] | 509.582 | 4.30882 | 104.49 | 12 | 38 | 1 | 7 | 0.224156 |
1k7l | 2.5 | 2,001 | 544 | G | 601 | ec50 | = | 240 | nM | -6.619789 | BindingDB | EC50=240nM | Q07869,Q07869 | Peroxisome proliferator activated receptor alpha,Peroxisome proliferator activated receptor alpha | C/C(=C/C(=O)c1ccccc1)N[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)[O-] | 509.582 | 4.30882 | 104.49 | 12 | 38 | 1 | 7 | 0.224156 |
1kak | 2.5 | 2,002 | FNP | A | 301 | ic50 | = | 26 | uM | -4.585027 | MOAD | ic50=26.0uM | P18031 | PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1 | O=P([O-])([O-])C(F)(F)c1ccc2ccc(C(F)(F)P(=O)([O-])[O-])cc2c1 | 384.114 | 0.7658 | 126.38 | 4 | 24 | 0 | 6 | 0.566067 |
1kav | 2.35 | 2,002 | FEP | A | 301 | ki | = | 1.5 | uM | -5.823909 | MOAD | Ki=1.5uM | P18031 | PROTEIN-TYROSINE PHOSPHATASE, NON-RECEPTOR TYPE 1 | O=P([O-])([O-])C(F)(F)c1ccc(CCCCc2ccc(C(F)(F)P(=O)([O-])[O-])cc2)cc1 | 466.26 | 2.178 | 126.38 | 9 | 30 | 0 | 6 | 0.316851 |
1kbq | 1.8 | 2,002 | 936 | D | 702 | ki | = | 0.45 | uM | -6.346787 | MOAD | Ki=0.45uM | P15559,P15559 | NAD(P)H dehydrogenase [quinone] 1,NAD(P)H dehydrogenase [quinone] 1 | COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)C1=O | 356.334 | 2.73002 | 100.67 | 5 | 26 | 0 | 7 | 0.603017 |
1kbq | 1.8 | 2,002 | 936 | B | 704 | ki | = | 0.45 | uM | -6.346787 | MOAD | Ki=0.45uM | P15559,P15559 | NAD(P)H dehydrogenase [quinone] 1,NAD(P)H dehydrogenase [quinone] 1 | COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)C1=O | 356.334 | 2.73002 | 100.67 | 5 | 26 | 0 | 7 | 0.603017 |
1kbq | 1.8 | 2,002 | 936 | A | 703 | ki | = | 0.45 | uM | -6.346787 | MOAD | Ki=0.45uM | P15559,P15559 | NAD(P)H dehydrogenase [quinone] 1,NAD(P)H dehydrogenase [quinone] 1 | COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)C1=O | 356.334 | 2.73002 | 100.67 | 5 | 26 | 0 | 7 | 0.603017 |
1kbq | 1.8 | 2,002 | 936 | C | 701 | ki | = | 0.45 | uM | -6.346787 | MOAD | Ki=0.45uM | P15559,P15559 | NAD(P)H dehydrogenase [quinone] 1,NAD(P)H dehydrogenase [quinone] 1 | COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)C1=O | 356.334 | 2.73002 | 100.67 | 5 | 26 | 0 | 7 | 0.603017 |
1kc2 | 2.1 | 2,002 | PRO-ILE | B | 302-309 | kd | = | 0.21 | uM | -6.677781 | 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-] | 1,064.053 | -7.77 | 447.42 | 31 | 74 | 8 | 18 | 0.032024 |
1kc7 | 2.2 | 2,002 | PPR | A | 1000 | ki | = | 3 | uM | -5.522879 | MOAD | Ki=3.0uM | P22983 | pyruvate phosphate dikinase | O=C([O-])C(=O)CP(=O)([O-])[O-] | 165.017 | -3.7809 | 120.39 | 3 | 10 | 0 | 6 | 0.312156 |
1kdk | 1.7 | 2,002 | DHT | A | 301 | kd | = | 0.9 | nM | -9.045757 | MOAD | Kd=0.9nM | P04278 | Sex Hormone-Binding Globulin | C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 | 290.447 | 3.9591 | 37.3 | 0 | 21 | 1 | 2 | 0.732973 |
1kdm | 2.35 | 2,002 | DHT | A | 301 | kd | = | 0.182 | nM | -9.739929 | BindingDB | IC50=3.8nM,Kd=0.182000nM | P04278 | sex hormone-binding globulin | C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 | 290.447 | 3.9591 | 37.3 | 0 | 21 | 1 | 2 | 0.732973 |
1ke5 | 2.2 | 2,002 | LS1 | A | 299 | ic50 | = | 560 | nM | -6.251812 | MOAD | ic50=560.0nM | P24941 | Cell division protein kinase 2 | CNS(=O)(=O)c1ccc(N/C=C2\C(=O)Nc3ccccc32)cc1 | 329.381 | 1.9998 | 87.3 | 4 | 23 | 3 | 4 | 0.748846 |
1ke6 | 2.0 | 2,002 | LS2 | A | 299 | ic50 | = | 5.7 | nM | -8.244125 | MOAD | ic50=5.7nM | P24941 | Cell division protein kinase 2 | CNS(=O)(=O)Cc1ccc(NN=C2C(=O)Nc3ccc4ncsc4c32)cc1 | 401.473 | 2.1138 | 112.55 | 5 | 27 | 3 | 7 | 0.567008 |
1ke7 | 2.0 | 2,002 | LS3 | A | 299 | ic50 | = | 8.9 | nM | -8.05061 | MOAD | ic50=8.9nM | P24941 | Cell division protein kinase 2 | O=C1Nc2ccc(-c3cnco3)cc2C1=CNc1ccc2c(c1)CS(=O)(=O)C2 | 393.424 | 3.1751 | 101.3 | 3 | 28 | 2 | 6 | 0.66301 |
1ke8 | 2.0 | 2,002 | LS4 | A | 299 | ic50 | = | 1,000 | nM | -6 | MOAD | ic50=1000.0nM | P24941 | CELL DIVISION PROTEIN KINASE 2 | O=C1Nc2ccccc2/C1=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 | 398.469 | 3.349 | 100.19 | 5 | 27 | 3 | 6 | 0.57247 |
1ke9 | 2.0 | 2,002 | LS5 | A | 299 | ic50 | = | 660 | nM | -6.180456 | MOAD | ic50=660.0nM | P24941 | Cell division protein kinase 2 | NC(=[NH2+])NS(=O)(=O)c1ccc(N/C=C2\C(=O)Nc3ccccc32)cc1 | 358.403 | -0.5562 | 138.91 | 4 | 25 | 5 | 4 | 0.28331 |
1kec | 2.3 | 2,003 | GRO | B | 601 | ki | = | 0.2 | mM | -3.69897 | MOAD | Ki=0.2mM | P06875,P06875 | PENICILLIN ACYLASE ALPHA SUBUNIT,PENICILLIN ACYLASE BETA SUBUNIT | C[C@@H](C(=O)[O-])c1ccccc1 | 149.169 | 0.54 | 40.13 | 2 | 11 | 0 | 2 | 0.615327 |
1kel | 1.9 | 1,996 | AAH | H | 219 | kd | = | 52 | nM | -7.283997 | MOAD | Kd=52.0nM | P01868 | 28B4 FAB | O=C([O-])CCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)CP(=O)([O-])[O-] | 344.26 | -2.2289 | 150.9 | 10 | 23 | 1 | 7 | 0.218209 |
1kf0 | 2.5 | 2,002 | ACP | A | 418 | kd | = | 2.8 | mM | -2.552842 | MOAD | Kd=2.8mM | Q7SIB7 | Phosphoglycerate Kinase | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])CP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 501.178 | -4.0461 | 281.22 | 8 | 31 | 3 | 17 | 0.290067 |
1klk | 2.3 | 2,002 | PMD | A | 653 | ic50 | = | 0.21 | uM | -6.677781 | MOAD | ic50=0.21uM | P16184 | Dihydrofolate reductase | Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4ccccc43)cnc2n1 | 367.416 | 3.4063 | 106.84 | 2 | 28 | 2 | 7 | 0.558909 |
1kly | 1.5 | 2,002 | UP6 | A | 2001 | ki | = | 12,400 | nM | -4.906578 | BindingDB | Ki=12400nM | O26232 | OROTIDINE 5'-PHOSPHATE DECARBOXYLASE | O=c1cnn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 | 323.154 | -4.6039 | 189.86 | 4 | 21 | 3 | 11 | 0.454191 |
1km0 | 1.7 | 2,002 | UP6 | D | 5004 | ki | = | 12,400 | nM | -4.906578 | BindingDB | Ki=12400nM | O26232,O26232 | OROTIDINE 5'-PHOSPHATE DECARBOXYLASE,OROTIDINE 5'-PHOSPHATE DECARBOXYLASE | O=c1cnn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 | 323.154 | -4.6039 | 189.86 | 4 | 21 | 3 | 11 | 0.454191 |
1km0 | 1.7 | 2,002 | UP6 | A | 5001 | ki | = | 12,400 | nM | -4.906578 | BindingDB | Ki=12400nM | O26232,O26232 | OROTIDINE 5'-PHOSPHATE DECARBOXYLASE,OROTIDINE 5'-PHOSPHATE DECARBOXYLASE | O=c1cnn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 | 323.154 | -4.6039 | 189.86 | 4 | 21 | 3 | 11 | 0.454191 |
1km0 | 1.7 | 2,002 | UP6 | B | 5002 | ki | = | 12,400 | nM | -4.906578 | BindingDB | Ki=12400nM | O26232,O26232 | OROTIDINE 5'-PHOSPHATE DECARBOXYLASE,OROTIDINE 5'-PHOSPHATE DECARBOXYLASE | O=c1cnn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 | 323.154 | -4.6039 | 189.86 | 4 | 21 | 3 | 11 | 0.454191 |
1km0 | 1.7 | 2,002 | UP6 | C | 5003 | ki | = | 12,400 | nM | -4.906578 | BindingDB | Ki=12400nM | O26232,O26232 | OROTIDINE 5'-PHOSPHATE DECARBOXYLASE,OROTIDINE 5'-PHOSPHATE DECARBOXYLASE | O=c1cnn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 | 323.154 | -4.6039 | 189.86 | 4 | 21 | 3 | 11 | 0.454191 |
1km1 | 1.6 | 2,002 | UP6 | B | 5002 | ki | = | 12,400 | nM | -4.906578 | BindingDB | Ki=12400nM | O26232,O26232 | OROTIDINE 5'-PHOSPHATE DECARBOXYLASE,OROTIDINE 5'-PHOSPHATE DECARBOXYLASE | O=c1cnn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 | 323.154 | -4.6039 | 189.86 | 4 | 21 | 3 | 11 | 0.454191 |
1km1 | 1.6 | 2,002 | UP6 | A | 5001 | ki | = | 12,400 | nM | -4.906578 | BindingDB | Ki=12400nM | O26232,O26232 | OROTIDINE 5'-PHOSPHATE DECARBOXYLASE,OROTIDINE 5'-PHOSPHATE DECARBOXYLASE | O=c1cnn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 | 323.154 | -4.6039 | 189.86 | 4 | 21 | 3 | 11 | 0.454191 |
1km2 | 1.5 | 2,002 | UP6 | A | 2001 | ki | = | 12,400 | nM | -4.906578 | BindingDB | Ki=12400nM | O26232 | OROTIDINE 5'-PHOSPHATE DECARBOXYLASE | O=c1cnn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 | 323.154 | -4.6039 | 189.86 | 4 | 21 | 3 | 11 | 0.454191 |
1km3 | 1.5 | 2,002 | UP6 | A | 2001 | ki | = | 12,400 | nM | -4.906578 | BindingDB | Ki=12400nM | O26232 | OROTIDINE 5'-PHOSPHATE DECARBOXYLASE | O=c1cnn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 | 323.154 | -4.6039 | 189.86 | 4 | 21 | 3 | 11 | 0.454191 |
1km5 | 1.5 | 2,002 | UP6 | A | 2001 | ki | = | 12,400 | nM | -4.906578 | BindingDB | Ki=12400nM | O26232 | OROTIDINE 5'-PHOSPHATE DECARBOXYLASE | O=c1cnn([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)[nH]1 | 323.154 | -4.6039 | 189.86 | 4 | 21 | 3 | 11 | 0.454191 |
1kms | 1.09 | 2,002 | LIH | A | 201 | ic50 | = | 0.98 | nM | -9.008774 | BindingDB | IC50=0.98nM | P00374 | DIHYDROFOLATE REDUCTASE | Cc1c(CNc2cccc3ncccc23)cnc2nc(N)nc(N)c12 | 331.383 | 2.65792 | 115.63 | 3 | 25 | 3 | 7 | 0.528242 |
1kmy | 2.0 | 2,002 | BPY | A | 300 | kd | = | 8 | uM | -5.09691 | MOAD | Kd=8.0uM | P47228 | 2,3-DIHYDROXYBIPHENYL 1,2-DIOXYGENASE | Oc1cccc(-c2ccccc2)c1O | 186.21 | 2.7648 | 40.46 | 1 | 14 | 2 | 2 | 0.672099 |
1knr | 2.5 | 2,002 | FAD | A | 800 | kd | = | 8.1 | uM | -5.091515 | MOAD | Kd=8.1uM | P10902 | L-aspartate oxidase | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O[P@@](=O)([O-])OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C | 783.541 | -3.68796 | 368.59 | 13 | 53 | 7 | 23 | 0.044623 |
1knu | 2.5 | 2,002 | YPA | A | 1001 | kd | = | 170 | nM | -6.769551 | BindingDB | EC50=170nM,Kd=170nM | P37231 | PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR GAMMA | CCO[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccccc32)cc1)C(=O)[O-] | 402.47 | 3.571 | 63.52 | 9 | 30 | 0 | 5 | 0.429372 |
1koj | 1.9 | 2,002 | PAN | A | 902 | ki | = | 0.2 | uM | -6.69897 | MOAD | Ki=0.2uM | Q9N1E2,Q9N1E2 | Glucose-6-phosphate isomerase,Glucose-6-phosphate isomerase | O=C(NO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-] | 259.107 | -4.5802 | 182.44 | 6 | 16 | 5 | 9 | 0.177802 |
1koj | 1.9 | 2,002 | PAN | B | 901 | ki | = | 0.2 | uM | -6.69897 | MOAD | Ki=0.2uM | Q9N1E2,Q9N1E2 | Glucose-6-phosphate isomerase,Glucose-6-phosphate isomerase | O=C(NO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-] | 259.107 | -4.5802 | 182.44 | 6 | 16 | 5 | 9 | 0.177802 |
1kpm | 1.8 | 2,002 | VIT | A | 401 | ki | = | 1.59 | uM | -5.798603 | MOAD | Ki=1.59uM | P59071,P59071 | Phospholipase A2,Phospholipase A2 | Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 | 430.717 | 8.84026 | 29.46 | 12 | 31 | 1 | 2 | 0.358644 |
1kqb | 1.8 | 2,002 | BEZ | D | 523 | ki | = | 0.1 | mM | -4 | MOAD | Ki=0.1mM | Q01234,Q01234,Q01234 | OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE,OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE,OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE | O=C([O-])c1ccccc1 | 121.115 | 0.0501 | 40.13 | 1 | 9 | 0 | 2 | 0.526318 |
1kqb | 1.8 | 2,002 | BEZ | C | 522 | ki | = | 0.1 | mM | -4 | MOAD | Ki=0.1mM | Q01234,Q01234 | OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE,OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE | O=C([O-])c1ccccc1 | 121.115 | 0.0501 | 40.13 | 1 | 9 | 0 | 2 | 0.526318 |
1kqb | 1.8 | 2,002 | BEZ | A | 524 | ki | = | 0.1 | mM | -4 | MOAD | Ki=0.1mM | Q01234,Q01234 | OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE,OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE | O=C([O-])c1ccccc1 | 121.115 | 0.0501 | 40.13 | 1 | 9 | 0 | 2 | 0.526318 |
1kqb | 1.8 | 2,002 | BEZ | B | 525 | ki | = | 0.1 | mM | -4 | MOAD | Ki=0.1mM | Q01234,Q01234 | OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE,OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE | O=C([O-])c1ccccc1 | 121.115 | 0.0501 | 40.13 | 1 | 9 | 0 | 2 | 0.526318 |
1kr3 | 2.5 | 2,003 | 113 | A | 602 | ki | = | 10 | uM | -5 | MOAD | Ki=10.0uM | P25910 | beta-Lactamase, type II | CO[C@@H]1O[C@@H](C)Cc2oc3cc(O)c(O)c(C(=O)[O-])c3c(=O)c21 | 321.261 | 0.1739 | 129.26 | 2 | 23 | 2 | 8 | 0.748993 |
1kr3 | 2.5 | 2,003 | 113 | B | 601 | ki | = | 10 | uM | -5 | MOAD | Ki=10.0uM | P25910 | beta-Lactamase, type II | CO[C@@H]1O[C@@H](C)Cc2oc3cc(O)c(O)c(C(=O)[O-])c3c(=O)c21 | 321.261 | 0.1739 | 129.26 | 2 | 23 | 2 | 8 | 0.748993 |
1ksn | 2.1 | 2,002 | FXV | A | 401 | ki | = | 0.4 | nM | -9.39794 | MOAD | Ki=0.4nM | P00742,P00742 | COAGULATION FACTOR XA,COAGULATION FACTOR XA | COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](C)NC(=O)c1ccc(-c2cc[n+]([O-])cc2)cc1 | 447.515 | 0.6016 | 133.95 | 8 | 33 | 3 | 4 | 0.152867 |
1kti | 1.97 | 2,002 | AZC | A | 998 | ki | = | 370 | uM | -3.431798 | MOAD | Ki=370.0uM | P00489 | GLYCOGEN PHOSPHORYLASE, MUSCLE FORM | CC(=O)NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | 264.234 | -3.368 | 148.35 | 2 | 18 | 6 | 7 | 0.304738 |
1kts | 2.4 | 2,002 | C24 | B | 999 | ki | = | 4.5 | nM | -8.346787 | MOAD | Ki=4.5nM | P00734,P00734 | thrombin,thrombin | CCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(N)=[NH2+])cc1)n2C)c1ccccn1 | 500.583 | 1.6448 | 140.96 | 10 | 37 | 3 | 7 | 0.170768 |
1ktt | 2.1 | 2,002 | C02 | B | 1 | ic50 | = | 1.5 | uM | -5.823909 | MOAD | ic50=1.5uM | P00734,P00734 | thrombin,thrombin | Cn1c(Cc2ccc(C(N)=[NH2+])cc2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21 | 420.518 | 1.4293 | 115.6 | 6 | 30 | 3 | 4 | 0.323188 |
1kug | 1.37 | 2,002 | PCA-TRP | B | 251-253 | ki | = | 0.00016 | M | -3.79588 | 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-] | 428.425 | -2.4161 | 186.31 | 9 | 31 | 5 | 6 | 0.295655 |
1kui | 1.5 | 2,002 | PCA-TRP | B | 251-253 | ki | = | 0.169 | mM | -3.772113 | 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-] | 442.452 | -2.026 | 186.31 | 10 | 32 | 5 | 6 | 0.282273 |
1kuk | 1.45 | 2,002 | PCA-TRP | B | 251-253 | ki | = | 0.124 | mM | -3.906578 | 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-] | 443.504 | -1.8793 | 170.86 | 11 | 32 | 5 | 5 | 0.2555 |
1kuv | 2.0 | 2,002 | CA5 | A | 901 | ki | = | 22 | nM | -7.657577 | MOAD | Ki=22.0nM | Q29495 | Serotonin N-acetyltransferase | CC(C)(CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSCC(=O)NCCc1c[nH]c2ccc(Br)cc12 | 1,042.646 | -1.7872 | 402.77 | 24 | 64 | 7 | 23 | 0.0301 |
1kux | 1.8 | 2,002 | CA3 | A | 900 | ki | = | 340 | nM | -6.468521 | MOAD | Ki=340.0nM | Q29495 | Serotonin N-acetyltransferase | CC(C)(CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSCCCCC(=O)NCCc1c[nH]c2ccccc12 | 1,005.831 | -1.3794 | 402.77 | 27 | 66 | 7 | 23 | 0.02673 |
1kuy | 2.4 | 2,002 | COT | A | 901 | ki | = | 48 | nM | -7.318759 | MOAD | Ki=48.0nM | Q29495 | Serotonin N-acetyltransferase | CC(C)(CO[P@](=O)([O-])O[P@@](=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSCC(=O)NCCc1c[nH]c2ccccc12 | 963.75 | -2.5497 | 402.77 | 24 | 63 | 7 | 23 | 0.028068 |
1kv1 | 2.5 | 2,002 | BMU | A | 391 | kd | = | 1.16 | uM | -5.935542 | MOAD | Kd=1.16uM | Q16539 | p38 MAP kinase | Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Cl)cc1 | 306.797 | 4.015 | 58.95 | 2 | 21 | 2 | 3 | 0.880229 |
1kv2 | 2.8 | 2,002 | B96 | A | 391 | kd | = | 0.1 | nM | -10 | BindingDB | Kd=0.1nM,IC50=12nM,Ki=22nM,koff=0.000008s-1,kon=84900M-1-s-1 | Q16539 | p38 MAP kinase | Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCC[NH+]3CCOCC3)c3ccccc23)cc1 | 528.677 | 4.56932 | 81.85 | 7 | 39 | 3 | 5 | 0.328329 |
1kv5 | 1.65 | 2,002 | PGA | A | 1350 | ki | = | 60 | uM | -4.221849 | MOAD | Ki=60.0uM | P04789,P04789 | triosephosphate isomerase, glycosomal,triosephosphate isomerase, glycosomal | O=C([O-])COP(=O)([O-])[O-] | 153.006 | -3.4184 | 112.55 | 3 | 9 | 0 | 6 | 0.389879 |
1kv5 | 1.65 | 2,002 | PGA | B | 2350 | ki | = | 60 | uM | -4.221849 | MOAD | Ki=60.0uM | P04789,P04789 | triosephosphate isomerase, glycosomal,triosephosphate isomerase, glycosomal | O=C([O-])COP(=O)([O-])[O-] | 153.006 | -3.4184 | 112.55 | 3 | 9 | 0 | 6 | 0.389879 |
1kvo | 2.0 | 1,997 | OAP | A | 190 | ic50 | = | 0.013 | uM | -7.886057 | MOAD | ic50=0.013uM | P14555,P14555,P14555 | HUMAN PHOSPHOLIPASE A2,HUMAN PHOSPHOLIPASE A2,HUMAN PHOSPHOLIPASE A2 | O=C([O-])CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 | 502.7 | 5.5776 | 69.23 | 16 | 36 | 1 | 4 | 0.205141 |
1kvo | 2.0 | 1,997 | OAP | B | 190 | ic50 | = | 0.013 | uM | -7.886057 | MOAD | ic50=0.013uM | P14555,P14555,P14555 | HUMAN PHOSPHOLIPASE A2,HUMAN PHOSPHOLIPASE A2,HUMAN PHOSPHOLIPASE A2 | O=C([O-])CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 | 502.7 | 5.5776 | 69.23 | 16 | 36 | 1 | 4 | 0.205141 |
1kvo | 2.0 | 1,997 | OAP | C | 190 | ic50 | = | 0.013 | uM | -7.886057 | MOAD | ic50=0.013uM | P14555,P14555,P14555,P14555 | HUMAN PHOSPHOLIPASE A2,HUMAN PHOSPHOLIPASE A2,HUMAN PHOSPHOLIPASE A2,HUMAN PHOSPHOLIPASE A2 | O=C([O-])CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 | 502.7 | 5.5776 | 69.23 | 16 | 36 | 1 | 4 | 0.205141 |
1kvo | 2.0 | 1,997 | OAP | D | 190 | ic50 | = | 0.013 | uM | -7.886057 | MOAD | ic50=0.013uM | P14555,P14555,P14555,P14555 | HUMAN PHOSPHOLIPASE A2,HUMAN PHOSPHOLIPASE A2,HUMAN PHOSPHOLIPASE A2,HUMAN PHOSPHOLIPASE A2 | O=C([O-])CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 | 502.7 | 5.5776 | 69.23 | 16 | 36 | 1 | 4 | 0.205141 |
1kvo | 2.0 | 1,997 | OAP | E | 190 | ic50 | = | 0.013 | uM | -7.886057 | MOAD | ic50=0.013uM | P14555,P14555,P14555,P14555 | HUMAN PHOSPHOLIPASE A2,HUMAN PHOSPHOLIPASE A2,HUMAN PHOSPHOLIPASE A2,HUMAN PHOSPHOLIPASE A2 | O=C([O-])CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 | 502.7 | 5.5776 | 69.23 | 16 | 36 | 1 | 4 | 0.205141 |
1kvo | 2.0 | 1,997 | OAP | F | 190 | ic50 | = | 0.013 | uM | -7.886057 | MOAD | ic50=0.013uM | P14555,P14555,P14555 | HUMAN PHOSPHOLIPASE A2,HUMAN PHOSPHOLIPASE A2,HUMAN PHOSPHOLIPASE A2 | O=C([O-])CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1 | 502.7 | 5.5776 | 69.23 | 16 | 36 | 1 | 4 | 0.205141 |
1kwq | 2.6 | 2,003 | SG1 | A | 900 | ic50 | = | 0.62 | nM | -9.207608 | BindingDB | IC50=0.62nM | P00918 | Carbonic anhydrase II | NS(=O)(=O)c1ccc(N2CCCC2=O)c([N+](=O)[O-])c1 | 285.281 | 0.369 | 123.61 | 3 | 19 | 1 | 5 | 0.634256 |
1kwr | 2.25 | 2,003 | SG2 | A | 900 | ic50 | = | 0.25 | uM | -6.60206 | MOAD | ic50=0.25uM | P00918 | Carbonic anhydrase II | Cn1sc(=O)c2cc(S(N)(=O)=O)ccc21 | 244.297 | 0.2474 | 82.16 | 1 | 15 | 1 | 5 | 0.780112 |
1kxm | 1.74 | 2,002 | BZI | A | 2 | kd | = | 0.14 | mM | -3.853872 | MOAD | Kd=0.14mM | P00431 | Cytochrome c Peroxidase | c1ccc2[nH]cnc2c1 | 118.139 | 1.5629 | 28.68 | 0 | 9 | 1 | 1 | 0.558373 |
1ky8 | 2.4 | 2,003 | NAP | A | 999 | kd | = | 1 | uM | -6 | MOAD | Kd=1.0uM | O57693 | glyceraldehyde-3-phosphate dehydrogenase | NC(=O)c1ccc[n+]([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)c1 | 740.385 | -5.4269 | 376.11 | 13 | 48 | 5 | 22 | 0.080579 |
1kyn | 3.5 | 2,002 | KTP | A | 601 | ic50 | = | 4,100 | nM | -5.387216 | BindingDB | IC50=4100nM | P08311 | cathepsin G | O=C(c1ccc2ccccc2c1)[C@@H](c1cccc2ccccc12)P(=O)([O-])[O-] | 374.332 | 3.8307 | 80.26 | 4 | 27 | 0 | 4 | 0.401609 |
1kyn | 3.5 | 2,002 | KTP | B | 701 | ic50 | = | 4,100 | nM | -5.387216 | BindingDB | IC50=4100nM | P08311 | cathepsin G | O=C(c1ccc2ccccc2c1)[C@@H](c1cccc2ccccc12)P(=O)([O-])[O-] | 374.332 | 3.8307 | 80.26 | 4 | 27 | 0 | 4 | 0.401609 |
1kyv | 2.4 | 2,002 | RBF | E | 505 | kd | = | 1.2 | uM | -5.920819 | MOAD | Kd=1.2uM | Q9UUB1,Q9UUB1 | 6,7-Dimethyl-8-ribityllumazine Synthase,6,7-Dimethyl-8-ribityllumazine Synthase | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C | 376.369 | -1.72356 | 161.56 | 5 | 27 | 5 | 9 | 0.328412 |
1kyv | 2.4 | 2,002 | RBF | C | 503 | kd | = | 1.2 | uM | -5.920819 | MOAD | Kd=1.2uM | Q9UUB1,Q9UUB1 | 6,7-Dimethyl-8-ribityllumazine Synthase,6,7-Dimethyl-8-ribityllumazine Synthase | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C | 376.369 | -1.72356 | 161.56 | 5 | 27 | 5 | 9 | 0.328412 |
1kyv | 2.4 | 2,002 | RBF | D | 504 | kd | = | 1.2 | uM | -5.920819 | MOAD | Kd=1.2uM | Q9UUB1,Q9UUB1 | 6,7-Dimethyl-8-ribityllumazine Synthase,6,7-Dimethyl-8-ribityllumazine Synthase | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C | 376.369 | -1.72356 | 161.56 | 5 | 27 | 5 | 9 | 0.328412 |
1kyv | 2.4 | 2,002 | RBF | A | 501 | kd | = | 1.2 | uM | -5.920819 | MOAD | Kd=1.2uM | Q9UUB1,Q9UUB1 | 6,7-Dimethyl-8-ribityllumazine Synthase,6,7-Dimethyl-8-ribityllumazine Synthase | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C | 376.369 | -1.72356 | 161.56 | 5 | 27 | 5 | 9 | 0.328412 |
1kyv | 2.4 | 2,002 | RBF | B | 502 | kd | = | 1.2 | uM | -5.920819 | MOAD | Kd=1.2uM | Q9UUB1,Q9UUB1 | 6,7-Dimethyl-8-ribityllumazine Synthase,6,7-Dimethyl-8-ribityllumazine Synthase | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C | 376.369 | -1.72356 | 161.56 | 5 | 27 | 5 | 9 | 0.328412 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.