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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5yql | 1.601 | 2,018 | A2I | A | 1001 | ic50 | = | 25.9 | uM | -4.5867 | MOAD | ic50=25.9uM | Q8IXJ6 | NAD-dependent protein deacetylase sirtuin-2 | Cc1cc(C)nc(SCC(=O)Nc2cccc(COc3ccccc3)c2)n1 | 379.485 | 4.40324 | 64.11 | 7 | 27 | 1 | 5 | 0.486754 |
5yqn | 1.6 | 2,018 | L55 | A | 402 | ic50 | = | 93.7 | uM | -4.02826 | MOAD | ic50=93.7uM | Q8IXJ6 | NAD-dependent protein deacetylase sirtuin-2 | Cc1cc(C)nc(SCC(=O)Nc2cccc(COc3cccc(NC(=O)c4cnn(C)c4)c3)c2)n1 | 502.6 | 4.38904 | 111.03 | 9 | 36 | 2 | 8 | 0.257928 |
5yqo | 1.483 | 2,018 | L5C | A | 402 | ic50 | = | 0.815 | uM | -6.088842 | MOAD | ic50=0.815uM | Q8IXJ6 | NAD-dependent protein deacetylase sirtuin-2 | Cc1cc(C)nc(SCC(=O)Nc2cccc(COc3ccc(NC(=O)c4cnn(C)c4)cc3)c2)n1 | 502.6 | 4.38904 | 111.03 | 9 | 36 | 2 | 8 | 0.257928 |
5yqx | 1.82 | 2,018 | E0K | A | 201 | kd | = | 110 | nM | -6.958607 | BindingDB | Kd=110nM,IC50=100nM | O60885 | Bromodomain-containing protein 4 | Cc1noc(C)c1-c1ccc2c(c1)O[C@H](CC1CC1)C(=O)N2 | 298.342 | 3.45804 | 64.36 | 3 | 22 | 1 | 4 | 0.942169 |
5yso | 2.501 | 2,018 | 90C | A | 501 | ic50 | = | 40 | nM | -7.39794 | BindingDB | IC50=40.0nM | P62508 | Estrogen-related receptor gamma | CC(C)[NH+]1CCN(c2ccc(C(=C(CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1 | 457.638 | 4.2371 | 48.14 | 8 | 34 | 3 | 3 | 0.443705 |
5yso | 2.501 | 2,018 | 90C | B | 501 | ic50 | = | 40 | nM | -7.39794 | BindingDB | IC50=40.0nM | P62508 | Estrogen-related receptor gamma | CC(C)[NH+]1CCN(c2ccc(C(=C(CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1 | 457.638 | 4.2371 | 48.14 | 8 | 34 | 3 | 3 | 0.443705 |
5yso | 2.501 | 2,018 | 90C | C | 501 | ic50 | = | 40 | nM | -7.39794 | BindingDB | IC50=40.0nM | P62508 | Estrogen-related receptor gamma | CC(C)[NH+]1CCN(c2ccc(C(=C(CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1 | 457.638 | 4.2371 | 48.14 | 8 | 34 | 3 | 3 | 0.443705 |
5yve | 3.4 | 2,018 | AF9 | A | 405 | ic50 | = | 45 | nM | -7.346787 | BindingDB | IC50=45nM | P56373 | P2X purinoceptor 3 | COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1S(N)(=O)=O | 353.404 | 1.2127 | 156.44 | 5 | 24 | 3 | 8 | 0.723629 |
5yvt | 2.4 | 2,018 | NAI | A | 402 | kd | = | 109 | uM | -3.962574 | MOAD | Kd=109.0uM | P50213,P51553 | Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial,Isocitrate dehydrogenase [NAD] subunit gamma, mitochondrial | 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](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1 | 663.43 | -3.9504 | 323.28 | 11 | 44 | 6 | 20 | 0.124904 |
5yvt | 2.4 | 2,018 | NAI | B | 401 | kd | = | 109 | uM | -3.962574 | MOAD | Kd=109.0uM | P50213,P51553 | Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial,Isocitrate dehydrogenase [NAD] subunit gamma, mitochondrial | 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](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1 | 663.43 | -3.9504 | 323.28 | 11 | 44 | 6 | 20 | 0.124904 |
5ywx | 1.74 | 2,018 | 93C | A | 302 | kd | = | 0.14 | nM | -9.853872 | MOAD | Kd=0.14nM | O60760 | Hematopoietic prostaglandin D synthase | O=C(Nc1ccc(N2CCCC2=O)cc1)c1cnc(-c2ccccn2)nc1 | 359.389 | 2.9177 | 88.08 | 4 | 27 | 1 | 5 | 0.77371 |
5ywx | 1.74 | 2,018 | 93C | B | 203 | kd | = | 0.14 | nM | -9.853872 | MOAD | Kd=0.14nM | O60760 | Hematopoietic prostaglandin D synthase | O=C(Nc1ccc(N2CCCC2=O)cc1)c1cnc(-c2ccccn2)nc1 | 359.389 | 2.9177 | 88.08 | 4 | 27 | 1 | 5 | 0.77371 |
5ywx | 1.74 | 2,018 | 93C | C | 203 | kd | = | 0.14 | nM | -9.853872 | MOAD | Kd=0.14nM | O60760 | Hematopoietic prostaglandin D synthase | O=C(Nc1ccc(N2CCCC2=O)cc1)c1cnc(-c2ccccn2)nc1 | 359.389 | 2.9177 | 88.08 | 4 | 27 | 1 | 5 | 0.77371 |
5ywx | 1.74 | 2,018 | 93C | D | 302 | kd | = | 0.14 | nM | -9.853872 | MOAD | Kd=0.14nM | O60760 | Hematopoietic prostaglandin D synthase | O=C(Nc1ccc(N2CCCC2=O)cc1)c1cnc(-c2ccccn2)nc1 | 359.389 | 2.9177 | 88.08 | 4 | 27 | 1 | 5 | 0.77371 |
5yy6 | 2.401 | 2,019 | 94L | A | 502 | ki | = | 24.16 | nM | -7.616903 | MOAD | Ki=24.16nM | P93836 | 4-hydroxyphenylpyruvate dioxygenase | Cc1cccc(C)c1-n1c(=O)c2cc(C(=O)C3=C([O-])CCCC3=O)ccc2n(C)c1=O | 417.441 | 1.85634 | 101.2 | 3 | 31 | 0 | 7 | 0.478221 |
5yyb | 2.484 | 2,018 | NGE | A | 501 | kd | = | 277 | nM | -6.55752 | MOAD | Kd=277.0nM | Q7VL18 | Putative ABC transporter periplasmic binding protein | O=C(CO)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](O)(C(=O)[O-])C[C@@H]1O | 324.262 | -6.2341 | 199.84 | 6 | 22 | 7 | 10 | 0.246304 |
5yyb | 2.484 | 2,018 | NGE | B | 501 | kd | = | 277 | nM | -6.55752 | MOAD | Kd=277.0nM | Q7VL18 | Putative ABC transporter periplasmic binding protein | O=C(CO)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](O)(C(=O)[O-])C[C@@H]1O | 324.262 | -6.2341 | 199.84 | 6 | 22 | 7 | 10 | 0.246304 |
5yz2 | 1.75 | 2,018 | AMP | A | 301 | kd | = | 11.3 | uM | -4.946922 | MOAD | Kd=11.3uM | P0AE78,P0AE78 | Magnesium and cobalt efflux protein CorC,Magnesium and cobalt efflux protein CorC | 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 |
5yz2 | 1.75 | 2,018 | AMP | B | 301 | kd | = | 11.3 | uM | -4.946922 | MOAD | Kd=11.3uM | P0AE78,P0AE78 | Magnesium and cobalt efflux protein CorC,Magnesium and cobalt efflux protein CorC | 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 |
5z02 | 1.35 | 2,018 | NUT | A | 101 | kd | = | 700 | nM | -6.154902 | BindingDB | IC50=90nM,Ki=36nM,Kd=700nM | Q00987 | E3 ubiquitin-protein ligase Mdm2 | COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1 | 581.5 | 5.8858 | 83.47 | 6 | 40 | 1 | 5 | 0.394015 |
5z12 | 2.75 | 2,018 | 9CR | B | 501 | 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 |
5z12 | 2.75 | 2,018 | 9CR | C | 501 | 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 |
5z1r | 1.62 | 2,019 | EFL | A | 201 | ic50 | = | 1,990 | nM | -5.701147 | BindingDB | IC50=1990nM | O60885 | Bromodomain-containing protein 4 | COc1ccc(Br)cc1S(=O)(=O)Nc1ccc2c(c1)OC(C)(C)C(=O)N2 | 441.303 | 3.368 | 93.73 | 4 | 26 | 2 | 5 | 0.759198 |
5z1s | 1.42 | 2,019 | EFM | A | 201 | kd | = | 302 | nM | -6.519993 | BindingDB | Kd=302nM,IC50=690nM | O60885 | Bromodomain-containing protein 4 | COc1cc2c(cc1NS(=O)(=O)c1cc(Br)ccc1OC)OC(C)(C)C(=O)N2 | 471.329 | 3.3766 | 102.96 | 5 | 28 | 2 | 6 | 0.693491 |
5z1t | 1.42 | 2,019 | EFN | A | 201 | kd | = | 498 | nM | -6.302771 | BindingDB | Kd=498nM,IC50=630nM | O60885 | Bromodomain-containing protein 4 | COc1ccc(Br)cc1S(=O)(=O)Nc1cc2c(cc1O)NC(=O)C(C)(C)O2 | 457.302 | 3.0736 | 113.96 | 4 | 27 | 3 | 6 | 0.608582 |
5z2l | 1.7 | 2,018 | NDP | A | 302 | kd | = | 45 | uM | -4.346787 | MOAD | Kd=45.0uM | P39333,P39333 | Cyclic-di-GMP-binding biofilm dispersal mediator protein,Cyclic-di-GMP-binding biofilm dispersal mediator protein | 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 |
5z2l | 1.7 | 2,018 | NDP | B | 302 | kd | = | 45 | uM | -4.346787 | MOAD | Kd=45.0uM | P39333,P39333 | Cyclic-di-GMP-binding biofilm dispersal mediator protein,Cyclic-di-GMP-binding biofilm dispersal mediator protein | 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 |
5z2l | 1.7 | 2,018 | NDP | C | 304 | kd | = | 45 | uM | -4.346787 | MOAD | Kd=45.0uM | P39333,P39333 | Cyclic-di-GMP-binding biofilm dispersal mediator protein,Cyclic-di-GMP-binding biofilm dispersal mediator protein | 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 |
5z2l | 1.7 | 2,018 | NDP | D | 301 | kd | = | 45 | uM | -4.346787 | MOAD | Kd=45.0uM | P39333,P39333 | Cyclic-di-GMP-binding biofilm dispersal mediator protein,Cyclic-di-GMP-binding biofilm dispersal mediator protein | 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 |
5z2l | 1.7 | 2,018 | NDP | E | 303 | kd | = | 45 | uM | -4.346787 | MOAD | Kd=45.0uM | P39333,P39333 | Cyclic-di-GMP-binding biofilm dispersal mediator protein,Cyclic-di-GMP-binding biofilm dispersal mediator protein | 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 |
5z2l | 1.7 | 2,018 | NDP | F | 302 | kd | = | 45 | uM | -4.346787 | MOAD | Kd=45.0uM | P39333,P39333 | Cyclic-di-GMP-binding biofilm dispersal mediator protein,Cyclic-di-GMP-binding biofilm dispersal mediator protein | 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 |
5z2l | 1.7 | 2,018 | NDP | G | 302 | kd | = | 45 | uM | -4.346787 | MOAD | Kd=45.0uM | P39333,P39333 | Cyclic-di-GMP-binding biofilm dispersal mediator protein,Cyclic-di-GMP-binding biofilm dispersal mediator protein | 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 |
5z2l | 1.7 | 2,018 | NDP | H | 301 | kd | = | 45 | uM | -4.346787 | MOAD | Kd=45.0uM | P39333,P39333 | Cyclic-di-GMP-binding biofilm dispersal mediator protein,Cyclic-di-GMP-binding biofilm dispersal mediator protein | 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 |
5z2l | 1.7 | 2,018 | NDP | I | 302 | kd | = | 45 | uM | -4.346787 | MOAD | Kd=45.0uM | P39333,P39333 | Cyclic-di-GMP-binding biofilm dispersal mediator protein,Cyclic-di-GMP-binding biofilm dispersal mediator protein | 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 |
5z2l | 1.7 | 2,018 | NDP | J | 301 | kd | = | 45 | uM | -4.346787 | MOAD | Kd=45.0uM | P39333,P39333 | Cyclic-di-GMP-binding biofilm dispersal mediator protein,Cyclic-di-GMP-binding biofilm dispersal mediator protein | 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 |
5z2l | 1.7 | 2,018 | NDP | K | 302 | kd | = | 45 | uM | -4.346787 | MOAD | Kd=45.0uM | P39333,P39333 | Cyclic-di-GMP-binding biofilm dispersal mediator protein,Cyclic-di-GMP-binding biofilm dispersal mediator protein | 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 |
5z2l | 1.7 | 2,018 | NDP | L | 301 | kd | = | 45 | uM | -4.346787 | MOAD | Kd=45.0uM | P39333,P39333 | Cyclic-di-GMP-binding biofilm dispersal mediator protein,Cyclic-di-GMP-binding biofilm dispersal mediator protein | 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 |
5z5s | 1.8 | 2,018 | RTE | A | 501 | ec50 | = | 68 | nM | -7.167491 | BindingDB | EC50=68nM | P37231 | Peroxisome proliferator-activated receptor gamma | Cn1c(COc2cccc(C(=O)[O-])c2)nc2ccc(Oc3ccc(Cl)c(F)c3)cc21 | 425.823 | 4.1006 | 76.41 | 6 | 30 | 0 | 6 | 0.464556 |
5z5v | 1.66 | 2,019 | 96X | A | 201 | ic50 | = | 287 | nM | -6.542118 | MOAD | ic50=287.0nM | O60885 | Bromodomain-containing protein 4 | CC(=O)Nc1cc(Cn2ccnc2)c2cccc(O)c2n1 | 282.303 | 2.1436 | 80.04 | 3 | 21 | 2 | 5 | 0.770991 |
5z69 | 2.102 | 2,018 | AGS | A | 401 | kd | = | 32 | uM | -4.49485 | MOAD | Kd=32.0uM | Q8RDL3 | DNA replication and repair protein RecF | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O[P@@](=O)([O-])OP(O)(O)=S)[C@@H](O)[C@H]1O | 521.234 | -2.7766 | 267.72 | 8 | 31 | 5 | 16 | 0.219824 |
5z6s | 1.8 | 2,018 | RTF | A | 501 | ec50 | = | 41 | nM | -7.387216 | BindingDB | EC50=41nM | P37231 | Peroxisome proliferator-activated receptor gamma | Cc1cnc(Oc2ccc3nc(COc4cccc(C(=O)[O-])c4)n(C)c3c2)c(C)c1 | 402.43 | 3.31994 | 89.3 | 6 | 30 | 0 | 7 | 0.491516 |
5z7b | 2.1 | 2,018 | VNL | A | 201 | kd | = | 13 | uM | -4.886057 | MOAD | Kd=13.0uM | Q8NN31,Q8NN31 | PadR family transcriptional regulator,PadR family transcriptional regulator | COc1cc(C(=O)[O-])ccc1O | 167.14 | -0.2357 | 69.59 | 2 | 12 | 1 | 4 | 0.659752 |
5z7b | 2.1 | 2,018 | VNL | B | 201 | kd | = | 13 | uM | -4.886057 | MOAD | Kd=13.0uM | Q8NN31,Q8NN31 | PadR family transcriptional regulator,PadR family transcriptional regulator | COc1cc(C(=O)[O-])ccc1O | 167.14 | -0.2357 | 69.59 | 2 | 12 | 1 | 4 | 0.659752 |
5z8g | 1.701 | 2,019 | 99L | A | 201 | ic50 | = | 32,230 | nM | -4.49174 | BindingDB | IC50=32230nM | O60885 | Bromodomain-containing protein 4 | CCN1C(=O)c2cccc3c(S(=O)(=O)N4CCC[C@@H](O)C4)ccc1c23 | 360.435 | 1.9653 | 77.92 | 3 | 25 | 1 | 4 | 0.907681 |
5z90 | 1.8 | 2,019 | 99U | A | 201 | ic50 | = | 1,910 | nM | -5.718967 | BindingDB | IC50=1910nM | O60885 | Bromodomain-containing protein 4 | CCN1C(=O)c2cccc3c(S(=O)(=O)N4CCCC4)ccc1c23 | 330.409 | 2.6044 | 57.69 | 3 | 23 | 0 | 3 | 0.869055 |
5z99 | 1.494 | 2,018 | SLB | A | 501 | kd | = | 133 | nM | -6.876148 | MOAD | Kd=133.0nM | Q7VL18 | Putative ABC transporter periplasmic binding protein | CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](O)(C(=O)[O-])C[C@@H]1O | 308.263 | -5.2065 | 179.61 | 5 | 21 | 6 | 9 | 0.289142 |
5za1 | 2.52 | 2,018 | 9A0 | A | 501 | ic50 | = | 14 | nM | -7.853872 | BindingDB | IC50=14nM | P51449 | Nuclear receptor ROR-gamma | CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)Nc3ccccc3)cc2)cc1 | 464.587 | 4.5777 | 92.34 | 8 | 33 | 2 | 4 | 0.510473 |
5za1 | 2.52 | 2,018 | 9A0 | B | 501 | ic50 | = | 14 | nM | -7.853872 | BindingDB | IC50=14nM | P51449 | Nuclear receptor ROR-gamma | CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)Nc3ccccc3)cc2)cc1 | 464.587 | 4.5777 | 92.34 | 8 | 33 | 2 | 4 | 0.510473 |
5za7 | 1.7 | 2,018 | HMX | U | 301 | ki | = | 1,356 | nM | -5.86774 | MOAD | Ki=1356.0nM | P00749 | Urokinase-type plasminogen activator chain B | NC(N)=NC(=O)c1nc(Cl)c(N2CCCCCC2)nc1N | 311.777 | 0.5062 | 136.51 | 2 | 21 | 3 | 5 | 0.534117 |
5za8 | 1.9 | 2,018 | 27I | U | 301 | ki | = | 508 | nM | -6.294136 | MOAD | Ki=508.0nM | P00749 | Urokinase-type plasminogen activator chain B | Cn1cc(-c2nc(C(=O)NC(N)=[NH2+])c(N)nc2N2CCCCCC2)cn1 | 358.43 | -1.3567 | 153.57 | 3 | 26 | 4 | 7 | 0.390293 |
5za9 | 1.62 | 2,018 | 50I | U | 301 | ki | = | 183 | nM | -6.737549 | MOAD | Ki=183.0nM | P00749 | Urokinase-type plasminogen activator chain B | NC(=[NH2+])NC(=O)c1nc(-c2cc3ccccc3o2)c(N2CCCCCC2)nc1N | 394.459 | 0.656 | 148.89 | 3 | 29 | 4 | 6 | 0.376367 |
5zae | 1.73 | 2,018 | EAU | U | 301 | ki | = | 156 | nM | -6.806875 | MOAD | Ki=156.0nM | P00749 | Urokinase-type plasminogen activator chain B | NC(=[NH2+])NC(=O)c1nc(-c2ccco2)c(N2CCCCCC2)nc1N | 344.399 | -0.4972 | 148.89 | 3 | 25 | 4 | 6 | 0.433058 |
5zaf | 1.65 | 2,018 | 28I | U | 301 | ki | = | 166 | nM | -6.779892 | MOAD | Ki=166.0nM | P00749 | Urokinase-type plasminogen activator chain B | NC(=[NH2+])NC(=O)c1nc(-c2ccoc2)c(N2CCCCCC2)nc1N | 344.399 | -0.4972 | 148.89 | 3 | 25 | 4 | 6 | 0.433058 |
5zag | 1.95 | 2,018 | 94I | U | 301 | ki | = | 108 | nM | -6.966576 | MOAD | Ki=108.0nM | P00749 | Urokinase-type plasminogen activator chain B | NC(=[NH2+])NC(=O)c1nc(-c2cncnc2)c(N2CCCCCC2)nc1N | 356.414 | -1.3002 | 161.53 | 3 | 26 | 4 | 7 | 0.389488 |
5zah | 2.98 | 2,018 | 30I | U | 301 | ki | = | 53 | nM | -7.275724 | BindingDB | Ki=53nM,IC50=39nM | P00749 | Urokinase-type plasminogen activator chain B | COc1ncc(-c2nc(C(=O)NC(N)=[NH2+])c(N)nc2N2CCCCCC2)cn1 | 386.44 | -1.2916 | 170.76 | 4 | 28 | 4 | 8 | 0.368346 |
5zaj | 1.65 | 2,018 | 32I | U | 301 | ki | = | 42 | nM | -7.376751 | MOAD | Ki=42.0nM | P00749 | Urokinase-type plasminogen activator chain B | COc1ncc(-c2nc(C(=O)NC(N)=[NH2+])c(N)nc2N2CCCCCC2)c(OC)n1 | 416.466 | -1.283 | 179.99 | 5 | 30 | 4 | 9 | 0.338363 |
5zc5 | 1.9 | 2,018 | 09I | U | 301 | ki | = | 88 | nM | -7.055517 | MOAD | Ki=88.0nM | P00749 | Urokinase-type plasminogen activator chain B | NC(=[NH2+])NC(=O)c1nc(-c2cc3c(F)cccc3o2)c(N2CCCCCC2)nc1N | 412.449 | 0.7951 | 148.89 | 3 | 30 | 4 | 6 | 0.367015 |
5zc9 | 2.0 | 2,019 | RCG | B | 600 | kd | = | 156 | nM | -6.806875 | BindingDB | IC50=47nM,Kd=156nM | P60842 | Eukaryotic initiation factor 4A-I | COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)[C@H](C(=O)N(C)C)[C@H]3c2ccccc2)cc1 | 505.567 | 3.0506 | 97.69 | 6 | 37 | 2 | 7 | 0.531523 |
5zcu | 2.413 | 2,019 | PYV | C | 301 | ic50 | = | 2,160 | nM | -5.665546 | MOAD | ic50=2160.0nM | Q6L5H6,Q6EN42 | Probable protein phosphatase 2C 50,ABA receptor RCAR3 | O=S(=O)(NCc1ccccn1)c1ccc(Br)c2ccccc12 | 377.263 | 3.4758 | 59.06 | 4 | 22 | 1 | 3 | 0.757545 |
5zcu | 2.413 | 2,019 | PYV | D | 301 | ic50 | = | 2,160 | nM | -5.665546 | MOAD | ic50=2160.0nM | Q6L5H6,Q6EN42 | Probable protein phosphatase 2C 50,ABA receptor RCAR3 | O=S(=O)(NCc1ccccn1)c1ccc(Br)c2ccccc12 | 377.263 | 3.4758 | 59.06 | 4 | 22 | 1 | 3 | 0.757545 |
5zdq | 2.3 | 2,019 | RNB | A | 504 | ic50 | = | 4 | nM | -8.39794 | BindingDB | IC50=4.0nM | Q26710 | Alternative oxidase, mitochondrial | CC(C)=CCC/C(C)=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O | 322.832 | 5.10732 | 57.53 | 6 | 22 | 2 | 3 | 0.565063 |
5zdq | 2.3 | 2,019 | RNB | B | 504 | ic50 | = | 4 | nM | -8.39794 | BindingDB | IC50=4.0nM | Q26710 | Alternative oxidase, mitochondrial | CC(C)=CCC/C(C)=C/Cc1c(O)c(Cl)c(C)c(C=O)c1O | 322.832 | 5.10732 | 57.53 | 6 | 22 | 2 | 3 | 0.565063 |
5zdq | 2.3 | 2,019 | RNB | C | 504 | ic50 | = | 4 | nM | -8.39794 | BindingDB | IC50=4.0nM | Q26710 | Alternative oxidase, mitochondrial | CC(C)=CCC/C(C)=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O | 322.832 | 5.10732 | 57.53 | 6 | 22 | 2 | 3 | 0.565063 |
5zdq | 2.3 | 2,019 | RNB | D | 504 | ic50 | = | 4 | nM | -8.39794 | BindingDB | IC50=4.0nM | Q26710,Q26710 | Alternative oxidase, mitochondrial,Alternative oxidase, mitochondrial | CC(C)=CCC/C(C)=C/Cc1c(O)c(Cl)c(C)c(C=O)c1O | 322.832 | 5.10732 | 57.53 | 6 | 22 | 2 | 3 | 0.565063 |
5zf4 | 1.66 | 2,018 | 9BL | A | 412 | ic50 | = | 4.2 | nM | -8.376751 | MOAD | ic50=4.2nM | Q02127 | Dihydroorotate dehydrogenase (quinone), mitochondrial | COC(=O)/C(C)=C/CC/C(C)=C/Cc1c(O)c(Cl)c(C)c(C=O)c1O | 366.841 | 4.26042 | 83.83 | 7 | 25 | 2 | 5 | 0.325786 |
5zf7 | 1.79 | 2,018 | CHW | A | 408 | ic50 | = | 63.9 | nM | -7.194499 | MOAD | ic50=63.9nM | Q02127 | Dihydroorotate dehydrogenase (quinone), mitochondrial | CC(=CCC/C(C)=C/Cc1c(O)c(Cl)c(C)c(C=O)c1O)[C@H](C)O | 352.858 | 4.46822 | 77.76 | 7 | 24 | 3 | 4 | 0.499502 |
5zf8 | 1.7 | 2,018 | 9BO | A | 410 | ic50 | = | 6.4 | nM | -8.19382 | MOAD | ic50=6.4nM | Q02127 | Dihydroorotate dehydrogenase (quinone), mitochondrial | CC(=O)O[C@@H](C)/C(C)=C/CC/C(C)=C/Cc1c(O)c(Cl)c(C)c(C=O)c1O | 394.895 | 5.03902 | 83.83 | 8 | 27 | 2 | 5 | 0.366337 |
5zf9 | 1.77 | 2,018 | 9BR | A | 409 | ic50 | = | 6 | nM | -8.221849 | MOAD | ic50=6.0nM | Q02127 | Dihydroorotate dehydrogenase (quinone), mitochondrial | CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)c(Cl)c(C)c(C=O)c1O | 390.951 | 6.83382 | 57.53 | 9 | 27 | 2 | 3 | 0.358344 |
5zfa | 1.75 | 2,018 | 9BU | A | 409 | ic50 | = | 21.5 | nM | -7.667562 | MOAD | ic50=21.5nM | Q02127 | Dihydroorotate dehydrogenase (quinone), mitochondrial | C/C(=C\COC(=O)C(C)C)CC/C(C)=C/Cc1c(O)c(Cl)c(C)c(C=O)c1O | 408.922 | 5.28662 | 83.83 | 9 | 28 | 2 | 5 | 0.329351 |
5zfi | 1.8 | 2,018 | 9C9 | A | 301 | ic50 | = | 1.2 | uM | -5.920819 | MOAD | ic50=1.2uM | Q91VE3 | Kallikrein-7 | CN(C)N=C1CN(CC(=O)Nc2cccc(-c3cnn(C)c3)c2)C(=O)[C@H](Cc2c(Cl)cccc2Cl)CN1 | 542.471 | 3.4982 | 94.86 | 7 | 37 | 2 | 6 | 0.446143 |
5zg0 | 1.58 | 2,019 | 9C3 | B | 1001 | ki | = | 0.082 | uM | -7.086186 | MOAD | Ki=0.082uM | P42262,P42262 | Glutamate receptor 2,Glutamate receptor 2 | CC(C)Oc1ccc(C2=CC=CN3CCS(=O)(=O)N=C23)cc1 | 318.398 | 2.4284 | 58.97 | 3 | 22 | 0 | 4 | 0.858648 |
5zg0 | 1.58 | 2,019 | 9C3 | C | 1001 | ki | = | 0.082 | uM | -7.086186 | MOAD | Ki=0.082uM | P42262,P42262 | Glutamate receptor 2,Glutamate receptor 2 | CC(C)Oc1ccc(C2=CC=CN3CCS(=O)(=O)N=C23)cc1 | 318.398 | 2.4284 | 58.97 | 3 | 22 | 0 | 4 | 0.858648 |
5zg0 | 1.58 | 2,019 | 9C3 | E | 1001 | ki | = | 0.082 | uM | -7.086186 | MOAD | Ki=0.082uM | P42262,P42262 | Glutamate receptor 2,Glutamate receptor 2 | CC(C)Oc1ccc(C2=CC=CN3CCS(=O)(=O)N=C23)cc1 | 318.398 | 2.4284 | 58.97 | 3 | 22 | 0 | 4 | 0.858648 |
5zg1 | 1.32 | 2,019 | 9C0 | A | 902 | ki | = | 0.019 | uM | -7.721246 | MOAD | Ki=0.019uM | P42262,P42262 | Glutamate receptor 2,Glutamate receptor 2 | CC(C)(C)c1ccc(C2=CC=CN3CCS(=O)(=O)N=C23)cc1 | 316.426 | 2.9387 | 49.74 | 1 | 22 | 0 | 3 | 0.800197 |
5zg3 | 1.65 | 2,019 | 9C6 | A | 1001 | ki | = | 0.061 | uM | -7.21467 | MOAD | Ki=0.061uM | P42262,P42262 | Glutamate receptor 2,Glutamate receptor 2 | O=S1(=O)CCN2C=CC=C(c3ccc(Oc4ccccc4)cc3)C2=N1 | 352.415 | 3.4335 | 58.97 | 3 | 25 | 0 | 4 | 0.849057 |
5zg3 | 1.65 | 2,019 | 9C6 | D | 802 | ki | = | 0.061 | uM | -7.21467 | MOAD | Ki=0.061uM | P42262,P42262 | Glutamate receptor 2,Glutamate receptor 2 | O=S1(=O)CCN2C=CC=C(c3ccc(Oc4ccccc4)cc3)C2=N1 | 352.415 | 3.4335 | 58.97 | 3 | 25 | 0 | 4 | 0.849057 |
5zg3 | 1.65 | 2,019 | 9C6 | E | 1001 | ki | = | 0.061 | uM | -7.21467 | MOAD | Ki=0.061uM | P42262,P42262 | Glutamate receptor 2,Glutamate receptor 2 | O=S1(=O)CCN2C=CC=C(c3ccc(Oc4ccccc4)cc3)C2=N1 | 352.415 | 3.4335 | 58.97 | 3 | 25 | 0 | 4 | 0.849057 |
5zhj | 1.75 | 2,019 | SAH | A | 301 | kd | = | 10.1 | uM | -4.995679 | MOAD | Kd=10.1uM | P9WFY7 | tRNA (guanine-N(1)-)-methyltransferase | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O | 384.418 | -3.4886 | 187.08 | 7 | 26 | 4 | 11 | 0.348875 |
5zhl | 2.25 | 2,019 | 9D0 | A | 301 | kd | = | 0.19 | uM | -6.721246 | MOAD | Kd=0.19uM | P9WFY7 | tRNA (guanine-N(1)-)-methyltransferase | CCCCCCCC[NH2+]Cc1ccc(CNC(=O)c2csc3nc[nH]c(=O)c23)cc1 | 427.594 | 3.3385 | 91.46 | 12 | 30 | 3 | 4 | 0.387227 |
5zid | 3.0 | 2,019 | 9EL | A | 802 | kd | = | 1.8 | nM | -8.744727 | BindingDB | Kd=1.8nM,IC50=2.00nM | P27487 | Dipeptidyl peptidase 4 | COc1cc2c3c(ccc2cc1C#N)O[C@H](c1cc(F)c(F)cc1F)[C@@H]([NH3+])C3 | 385.365 | 3.42408 | 69.89 | 2 | 28 | 1 | 3 | 0.687475 |
5zid | 3.0 | 2,019 | 9EL | B | 806 | kd | = | 1.8 | nM | -8.744727 | BindingDB | Kd=1.8nM,IC50=2.00nM | P27487 | Dipeptidyl peptidase 4 | COc1cc2c3c(ccc2cc1C#N)O[C@H](c1cc(F)c(F)cc1F)[C@@H]([NH3+])C3 | 385.365 | 3.42408 | 69.89 | 2 | 28 | 1 | 3 | 0.687475 |
5zio | 0.98 | 2,019 | X8Z | A | 303 | kd | = | 14,000 | nM | -4.853872 | BindingDB | Kd=14000nM,IC50=50119nM | C7C422 | Metallo-beta-lactamase type 2 | C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)[O-] | 216.282 | -0.7068 | 60.44 | 3 | 14 | 1 | 4 | 0.634173 |
5zj6 | 1.696 | 2,018 | VSE | A | 601 | ic50 | = | 0.42658 | nM | -9.37 | BindingDB | IC50=0.426580nM | P08631 | Tyrosine-protein kinase HCK | C[NH+]1CCN([C@H]2CC[C@H](n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1 | 483.64 | 3.7868 | 73.64 | 5 | 36 | 2 | 6 | 0.451948 |
5zj6 | 1.696 | 2,018 | VSE | B | 601 | ic50 | = | 0.42658 | nM | -9.37 | BindingDB | IC50=0.426580nM | P08631 | Tyrosine-protein kinase HCK | C[NH+]1CCN([C@H]2CC[C@H](n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1 | 483.64 | 3.7868 | 73.64 | 5 | 36 | 2 | 6 | 0.451948 |
5zj9 | 2.6 | 2,018 | 9E6 | A | 402 | ic50 | = | 36 | nM | -7.443697 | BindingDB | IC50=36nM | P14920 | D-amino-acid oxidase | O=C([O-])c1csc(Cl)c1 | 161.589 | 0.765 | 40.13 | 1 | 9 | 0 | 3 | 0.61046 |
5zj9 | 2.6 | 2,018 | 9E6 | B | 402 | ic50 | = | 36 | nM | -7.443697 | BindingDB | IC50=36nM | P14920 | D-amino-acid oxidase | O=C([O-])c1csc(Cl)c1 | 161.589 | 0.765 | 40.13 | 1 | 9 | 0 | 3 | 0.61046 |
5zj9 | 2.6 | 2,018 | 9E6 | C | 402 | ic50 | = | 36 | nM | -7.443697 | BindingDB | IC50=36nM | P14920 | D-amino-acid oxidase | O=C([O-])c1csc(Cl)c1 | 161.589 | 0.765 | 40.13 | 1 | 9 | 0 | 3 | 0.61046 |
5zj9 | 2.6 | 2,018 | 9E6 | D | 402 | ic50 | = | 36 | nM | -7.443697 | BindingDB | IC50=36nM | P14920 | D-amino-acid oxidase | O=C([O-])c1csc(Cl)c1 | 161.589 | 0.765 | 40.13 | 1 | 9 | 0 | 3 | 0.61046 |
5zja | 2.6 | 2,018 | 9E9 | A | 402 | ic50 | = | 720 | nM | -6.142668 | BindingDB | IC50=720nM | P14920 | D-amino-acid oxidase | O=C([O-])c1ccc(Cl)s1 | 161.589 | 0.765 | 40.13 | 1 | 9 | 0 | 3 | 0.61046 |
5zja | 2.6 | 2,018 | 9E9 | B | 402 | ic50 | = | 720 | nM | -6.142668 | BindingDB | IC50=720nM | P14920 | D-amino-acid oxidase | O=C([O-])c1ccc(Cl)s1 | 161.589 | 0.765 | 40.13 | 1 | 9 | 0 | 3 | 0.61046 |
5zja | 2.6 | 2,018 | 9E9 | C | 402 | ic50 | = | 720 | nM | -6.142668 | BindingDB | IC50=720nM | P14920 | D-amino-acid oxidase | O=C([O-])c1ccc(Cl)s1 | 161.589 | 0.765 | 40.13 | 1 | 9 | 0 | 3 | 0.61046 |
5zja | 2.6 | 2,018 | 9E9 | D | 402 | ic50 | = | 720 | nM | -6.142668 | BindingDB | IC50=720nM | P14920 | D-amino-acid oxidase | O=C([O-])c1ccc(Cl)s1 | 161.589 | 0.765 | 40.13 | 1 | 9 | 0 | 3 | 0.61046 |
5zjw | 1.798 | 2,019 | 9EO | A | 601 | ic50 | = | 25 | nM | -7.60206 | BindingDB | IC50=25nM | O96013 | Serine/threonine-protein kinase PAK 4 | O=C1Nc2ccc(C(=O)N[C@H](CO)c3ccccc3)cc2/C1=C(\c1ccccc1)c1ncc[nH]1 | 450.498 | 3.7843 | 107.11 | 6 | 34 | 4 | 4 | 0.335426 |
5zjy | 1.59 | 2,019 | MGP | A | 1001 | ki | = | 28 | nM | -7.552842 | BindingDB | Ki=28nM | P06730 | Eukaryotic translation initiation factor 4E | C[n+]1cn([C@@H]2O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21 | 534.184 | -5.4342 | 301.41 | 8 | 33 | 4 | 17 | 0.181306 |
5zk9 | 1.76 | 2,019 | MGP | A | 1001 | ki | = | 28 | nM | -7.552842 | BindingDB | Ki=28nM | P06730 | Eukaryotic translation initiation factor 4E | C[n+]1cn([C@@H]2O[C@H](CO[P@](=O)([O-])O[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21 | 534.184 | -5.4342 | 301.41 | 8 | 33 | 4 | 17 | 0.181306 |
5zkc | 2.3 | 2,018 | 3C0 | A | 501 | kd | = | 6.4 | nM | -8.19382 | MOAD | Kd=6.4nM | null | null | C[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 | 318.393 | 1.0627 | 59.06 | 4 | 23 | 1 | 4 | 0.512333 |
5zlc | 2.0 | 2,019 | DGT | A | 503 | kd | = | 0.95 | uM | -6.022276 | MOAD | Kd=0.95uM | Q9NP87 | DNA-directed DNA/RNA polymerase mu | Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O[P@](=O)([O-])OP(=O)([O-])[O-])O2)c(=O)[nH]1 | 503.15 | -3.8345 | 290.19 | 8 | 31 | 3 | 17 | 0.290577 |
5znc | 1.66 | 2,019 | QI9 | A | 301 | kd | = | 65 | nM | -7.187087 | MOAD | Kd=65.0nM | Q8T9Z7 | Purine nucleoside phosphorylase | C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12 | 325.432 | 1.7561 | 46.79 | 4 | 24 | 2 | 3 | 0.842243 |
5zni | 2.3 | 2,019 | YMZ | A | 302 | kd | = | 11 | uM | -4.958607 | MOAD | Kd=11.0uM | Q8T9Z7 | Purine nucleoside phosphorylase | O[C@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCC[NH2+]1 | 379.324 | 3.4217 | 49.73 | 2 | 26 | 2 | 2 | 0.786015 |
5znl | 2.8 | 2,019 | 9G6 | A | 803 | ic50 | = | 1.7 | nM | -8.769551 | BindingDB | IC50=1.7nM | Q9Y233 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | COc1cc2ncnc(N3CCOCC3)c2cc1OCCNc1nc2ccccc2s1 | 437.525 | 3.5756 | 81.63 | 7 | 31 | 1 | 9 | 0.439606 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.