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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5znl | 2.8 | 2,019 | 9G6 | B | 803 | ic50 | = | 1.7 | nM | -8.769551 | BindingDB | IC50=1.7nM | Q9Y233,Q9Y233 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A,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 |
5zo7 | 2.6 | 2,018 | 5C5 | A | 602 | ic50 | = | 14 | nM | -7.853872 | BindingDB | IC50=14nM | P52732 | Kinesin-like protein KIF11 | COc1ccc(C2(SC[C@H]([NH3+])C(=O)[O-])c3ccccc3CCc3ccccc32)cc1 | 419.546 | 2.1793 | 77 | 6 | 30 | 1 | 4 | 0.664432 |
5zo7 | 2.6 | 2,018 | 5C5 | B | 602 | ic50 | = | 14 | nM | -7.853872 | BindingDB | IC50=14nM | P52732 | Kinesin-like protein KIF11 | COc1ccc(C2(SC[C@H]([NH3+])C(=O)[O-])c3ccccc3CCc3ccccc32)cc1 | 419.546 | 2.1793 | 77 | 6 | 30 | 1 | 4 | 0.664432 |
5zo8 | 2.2 | 2,018 | 4C5 | A | 602 | ki | = | 22 | nM | -7.657577 | BindingDB | Ki=22nM,IC50=28.5nM,EC50=230nM | P52732 | Kinesin-like protein KIF11 | COc1ccc(C(SC[C@H]([NH3+])C(=O)[O-])(c2ccccc2)c2ccccc2)cc1 | 393.508 | 2.0807 | 77 | 8 | 28 | 1 | 4 | 0.59466 |
5zo8 | 2.2 | 2,018 | 4C5 | B | 602 | ki | = | 22 | nM | -7.657577 | BindingDB | Ki=22nM,IC50=28.5nM,EC50=230nM | P52732 | Kinesin-like protein KIF11 | COc1ccc(C(SC[C@H]([NH3+])C(=O)[O-])(c2ccccc2)c2ccccc2)cc1 | 393.508 | 2.0807 | 77 | 8 | 28 | 1 | 4 | 0.59466 |
5zo9 | 2.7 | 2,018 | 4C5 | A | 602 | ki | = | 22 | nM | -7.657577 | BindingDB | Ki=22nM,IC50=28.5nM,EC50=230nM | P52732 | Kinesin-like protein KIF11 | COc1ccc(C(SC[C@H]([NH3+])C(=O)[O-])(c2ccccc2)c2ccccc2)cc1 | 393.508 | 2.0807 | 77 | 8 | 28 | 1 | 4 | 0.59466 |
5zo9 | 2.7 | 2,018 | 4C5 | B | 602 | ki | = | 22 | nM | -7.657577 | BindingDB | Ki=22nM,IC50=28.5nM,EC50=230nM | P52732 | Kinesin-like protein KIF11 | COc1ccc(C(SC[C@H]([NH3+])C(=O)[O-])(c2ccccc2)c2ccccc2)cc1 | 393.508 | 2.0807 | 77 | 8 | 28 | 1 | 4 | 0.59466 |
5zqo | 2.06 | 2,019 | 9GX | A | 1202 | ic50 | = | 19.4 | nM | -7.712198 | MOAD | ic50=19.4nM | Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2 | COc1ccccc1N1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1 | 340.427 | 1.9839 | 61.46 | 3 | 25 | 1 | 5 | 0.925755 |
5zqp | 1.99 | 2,019 | 9H3 | A | 1202 | ic50 | = | 18.3 | nM | -7.737549 | MOAD | ic50=18.3nM | Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2 | O=C1Oc2ccccc2C12CCN(c1nc3c(c(=O)[nH]1)CCCC3)CC2 | 351.406 | 2.1059 | 75.29 | 1 | 26 | 1 | 5 | 0.629038 |
5zqr | 1.75 | 2,019 | 9H9 | A | 1202 | ic50 | = | 10.6 | nM | -7.974694 | MOAD | ic50=10.6nM | Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2 | O=c1[nH]c(N2CCC3(CC2)CN(CCO)c2cc(F)cc(F)c23)nc2c1CCCC2 | 416.472 | 2.2774 | 72.46 | 3 | 30 | 2 | 5 | 0.803376 |
5zqu | 2.60038789589 | 2,019 | 9HF | A | 501 | ec50 | = | 143 | nM | -6.844664 | BindingDB | EC50=143nM | P19793,P19793 | Retinoic acid receptor RXR-alpha,Retinoic acid receptor RXR-alpha | Cc1cc2c(cc1-n1nnc3cc(C(=O)[O-])ccc31)C(C)(C)CCC2(C)C | 362.453 | 3.44142 | 70.84 | 2 | 27 | 0 | 5 | 0.700041 |
5zqu | 2.60038789589 | 2,019 | 9HF | A | 502 | ec50 | = | 143 | nM | -6.844664 | BindingDB | EC50=143nM | P19793,P19793 | Retinoic acid receptor RXR-alpha,Retinoic acid receptor RXR-alpha | Cc1cc2c(cc1-n1nnc3cc(C(=O)[O-])ccc31)C(C)(C)CCC2(C)C | 362.453 | 3.44142 | 70.84 | 2 | 27 | 0 | 5 | 0.700041 |
5zqu | 2.60038789589 | 2,019 | 9HF | B | 501 | ec50 | = | 143 | nM | -6.844664 | BindingDB | EC50=143nM | P19793,P19793 | Retinoic acid receptor RXR-alpha,Retinoic acid receptor RXR-alpha | Cc1cc2c(cc1-n1nnc3cc(C(=O)[O-])ccc31)C(C)(C)CCC2(C)C | 362.453 | 3.44142 | 70.84 | 2 | 27 | 0 | 5 | 0.700041 |
5zqu | 2.60038789589 | 2,019 | 9HF | C | 501 | ec50 | = | 143 | nM | -6.844664 | BindingDB | EC50=143nM | P19793,P19793 | Retinoic acid receptor RXR-alpha,Retinoic acid receptor RXR-alpha | Cc1cc2c(cc1-n1nnc3cc(C(=O)[O-])ccc31)C(C)(C)CCC2(C)C | 362.453 | 3.44142 | 70.84 | 2 | 27 | 0 | 5 | 0.700041 |
5zqu | 2.60038789589 | 2,019 | 9HF | D | 501 | ec50 | = | 143 | nM | -6.844664 | BindingDB | EC50=143nM | P19793,P19793 | Retinoic acid receptor RXR-alpha,Retinoic acid receptor RXR-alpha | Cc1cc2c(cc1-n1nnc3cc(C(=O)[O-])ccc31)C(C)(C)CCC2(C)C | 362.453 | 3.44142 | 70.84 | 2 | 27 | 0 | 5 | 0.700041 |
5zqu | 2.60038789589 | 2,019 | 9HF | D | 502 | ec50 | = | 143 | nM | -6.844664 | BindingDB | EC50=143nM | P19793,P19793 | Retinoic acid receptor RXR-alpha,Retinoic acid receptor RXR-alpha | Cc1cc2c(cc1-n1nnc3cc(C(=O)[O-])ccc31)C(C)(C)CCC2(C)C | 362.453 | 3.44142 | 70.84 | 2 | 27 | 0 | 5 | 0.700041 |
5zr3 | 2.5 | 2,019 | 9J0 | A | 301 | ic50 | = | 98 | nM | -7.008774 | MOAD | ic50=98.0nM | P07900,P07900 | Heat shock protein HSP 90-alpha,Heat shock protein HSP 90-alpha | Cc1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21 | 440.511 | 3.53742 | 109.44 | 5 | 33 | 1 | 8 | 0.449532 |
5zr3 | 2.5 | 2,019 | 9J0 | C | 301 | ic50 | = | 98 | nM | -7.008774 | MOAD | ic50=98.0nM | P07900,P07900 | Heat shock protein HSP 90-alpha,Heat shock protein HSP 90-alpha | Cc1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21 | 440.511 | 3.53742 | 109.44 | 5 | 33 | 1 | 8 | 0.449532 |
5zr3 | 2.5 | 2,019 | 9J0 | E | 301 | ic50 | = | 98 | nM | -7.008774 | MOAD | ic50=98.0nM | P07900,P07900 | Heat shock protein HSP 90-alpha,Heat shock protein HSP 90-alpha | Cc1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21 | 440.511 | 3.53742 | 109.44 | 5 | 33 | 1 | 8 | 0.449532 |
5zr3 | 2.5 | 2,019 | 9J0 | G | 301 | ic50 | = | 98 | nM | -7.008774 | MOAD | ic50=98.0nM | P07900,P07900 | Heat shock protein HSP 90-alpha,Heat shock protein HSP 90-alpha | Cc1cc(C(N)=O)ccc1-n1nc(C(C)C)c2c(-n3cnc(-c4cnn(C)c4)c3)ccnc21 | 440.511 | 3.53742 | 109.44 | 5 | 33 | 1 | 8 | 0.449532 |
5ztn | 2.496 | 2,018 | CUR | A | 501 | ic50 | = | 5 | nM | -8.30103 | MOAD | ic50=5.0nM | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 | COc1cc(C=CC(O)=CC(=O)/C=C\c2ccc(O)c(OC)c2)ccc1O | 368.385 | 3.8526 | 96.22 | 7 | 27 | 3 | 6 | 0.3902 |
5ztn | 2.496 | 2,018 | CUR | B | 501 | ic50 | = | 5 | nM | -8.30103 | MOAD | ic50=5.0nM | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 | COc1cc(C=CC(O)=CC(=O)/C=C\c2ccc(O)c(OC)c2)ccc1O | 368.385 | 3.8526 | 96.22 | 7 | 27 | 3 | 6 | 0.3902 |
5zto | 2.649 | 2,019 | 9JO | A | 1101 | ic50 | = | 6.8 | nM | -8.167491 | BindingDB | IC50=6.8nM | P00533 | Epidermal growth factor receptor | CCC(=O)N[C@H]1CC[C@@H](N2C(=O)N(c3ccccc3Cl)Cc3cnc(Nc4ccc(N5CC[NH+](C)CC5)c(C)c4)nc32)CC1 | 618.206 | 4.30072 | 98.14 | 7 | 44 | 3 | 6 | 0.365815 |
5zun | 1.35 | 2,018 | 9JX | A | 401 | ic50 | = | 0.64 | nM | -9.19382 | MOAD | ic50=0.64nM | Q99685 | Monoglyceride lipase | O=C(c1nccs1)N1CC[NH+]([C@@H]2CC(=O)N(c3cccc(-c4ccccc4Cl)c3)C2)CC1 | 468.002 | 2.6097 | 57.95 | 4 | 32 | 1 | 4 | 0.64137 |
5zwb | 2.2 | 2,019 | ADP | A | 304 | kd | = | 0 | M | -7.19382 | MOAD | Kd=6.4e-08M | A0A0F7J8S0 | Pyridoxine/pyridoxal/pyridoxamine kinase | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O | 424.179 | -3.642 | 241.09 | 6 | 27 | 3 | 15 | 0.378904 |
5zwh | 2.38 | 2,018 | 9N9 | A | 502 | ic50 | = | 1.9 | nM | -8.721246 | MOAD | ic50=1.9nM | P13053 | Vitamin D3 receptor | C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)C(=O)C#C/C=C/C)CC[C@@H]23)C[C@H]1O | 408.582 | 4.9121 | 57.53 | 3 | 30 | 2 | 3 | 0.396173 |
5zwi | 2.4 | 2,018 | 9KX | A | 501 | ic50 | = | 2.3 | nM | -8.638272 | MOAD | ic50=2.3nM | P13053 | Vitamin D3 receptor | C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)C(=O)/C=C/C=C/C)CC[C@@H]23)C[C@H]1O | 410.598 | 5.4649 | 57.53 | 5 | 30 | 2 | 3 | 0.35914 |
5zwj | 2.9 | 2,018 | 9LL | A | 1101 | ic50 | = | 3 | nM | -8.522879 | BindingDB | IC50=3.0nM | P00533 | Epidermal growth factor receptor | O=C(Nc1nccs1)[C@@H](c1cc(F)ccc1O)N1Cc2ccccc2C1=O | 383.404 | 3.3236 | 82.53 | 4 | 27 | 2 | 5 | 0.724063 |
5zxb | 2.198 | 2,018 | 9KO | A | 401 | ic50 | = | 8 | nM | -8.09691 | MOAD | ic50=8.0nM | Q07912 | Activated CDC42 kinase 1 | CC(=O)N1CCN(c2ccc(Nc3ncc4c(n3)N(C)C(=O)N(c3cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc3C)C4)cn2)CC1 | 659.673 | 5.43962 | 126.9 | 6 | 48 | 2 | 8 | 0.280433 |
5zxb | 2.198 | 2,018 | 9KO | B | 401 | ic50 | = | 8 | nM | -8.09691 | MOAD | ic50=8.0nM | Q07912 | Activated CDC42 kinase 1 | CC(=O)N1CCN(c2ccc(Nc3ncc4c(n3)N(C)C(=O)N(c3cc(NC(=O)c5cccc(C(F)(F)F)c5)ccc3C)C4)cn2)CC1 | 659.673 | 5.43962 | 126.9 | 6 | 48 | 2 | 8 | 0.280433 |
5zxf | 1.25 | 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 |
5zxk | 1.96 | 2,019 | H6P | A | 501 | kd | = | 3.3 | uM | -5.481486 | MOAD | Kd=3.3uM | O00481 | Butyrophilin subfamily 3 member A1 | C/C(=C\CO[P@](=O)([O-])OP(=O)([O-])[O-])CO | 259.067 | -1.7447 | 142.01 | 6 | 15 | 1 | 8 | 0.436842 |
5zyn | 1.75 | 2,018 | FAD | B | 604 | kd | = | 4.92 | uM | -5.308035 | MOAD | Kd=4.92uM | P21375 | Fumarate reductase 2 | 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 |
5zz1 | 1.91 | 2,019 | 3TR | A | 702 | ki | = | 0.021 | M | -1.677781 | MOAD | Ki=0.021M | M4GGR7 | Catalase | Nc1nc[nH]n1 | 84.082 | -0.6131 | 67.59 | 0 | 6 | 2 | 3 | 0.440166 |
5zz1 | 1.91 | 2,019 | 3TR | A | 703 | ki | = | 0.021 | M | -1.677781 | MOAD | Ki=0.021M | M4GGR7,M4GGR7 | Catalase,Catalase | Nc1nc[nH]n1 | 84.082 | -0.6131 | 67.59 | 0 | 6 | 2 | 3 | 0.440166 |
5zz1 | 1.91 | 2,019 | 3TR | B | 1704 | ki | = | 0.021 | M | -1.677781 | MOAD | Ki=0.021M | M4GGR7,M4GGR7 | Catalase,Catalase | Nc1nc[nH]n1 | 84.082 | -0.6131 | 67.59 | 0 | 6 | 2 | 3 | 0.440166 |
5zz1 | 1.91 | 2,019 | 3TR | B | 1706 | ki | = | 0.021 | M | -1.677781 | MOAD | Ki=0.021M | M4GGR7,M4GGR7 | Catalase,Catalase | Nc1nc[nH]n1 | 84.082 | -0.6131 | 67.59 | 0 | 6 | 2 | 3 | 0.440166 |
5zz1 | 1.91 | 2,019 | 3TR | B | 1703 | ki | = | 0.021 | M | -1.677781 | MOAD | Ki=0.021M | M4GGR7 | Catalase | Nc1nc[nH]n1 | 84.082 | -0.6131 | 67.59 | 0 | 6 | 2 | 3 | 0.440166 |
5zz1 | 1.91 | 2,019 | 3TR | C | 703 | ki | = | 0.021 | M | -1.677781 | MOAD | Ki=0.021M | M4GGR7,M4GGR7 | Catalase,Catalase | Nc1nc[nH]n1 | 84.082 | -0.6131 | 67.59 | 0 | 6 | 2 | 3 | 0.440166 |
5zz1 | 1.91 | 2,019 | 3TR | C | 702 | ki | = | 0.021 | M | -1.677781 | MOAD | Ki=0.021M | M4GGR7 | Catalase | Nc1nc[nH]n1 | 84.082 | -0.6131 | 67.59 | 0 | 6 | 2 | 3 | 0.440166 |
5zz1 | 1.91 | 2,019 | 3TR | D | 702 | ki | = | 0.021 | M | -1.677781 | MOAD | Ki=0.021M | M4GGR7 | Catalase | Nc1nc[nH]n1 | 84.082 | -0.6131 | 67.59 | 0 | 6 | 2 | 3 | 0.440166 |
5zz2 | 2.6 | 2,018 | 9M0 | A | 904 | ic50 | = | 1.4 | nM | -8.853872 | BindingDB | IC50=1.4nM | O76074 | cGMP-specific 3',5'-cyclic phosphodiesterase | O=c1c2c(F)cccc2oc2c(Cc3ccc4c(c3)OCO4)[nH]c(-c3nccs3)c12 | 420.421 | 4.8564 | 77.35 | 3 | 30 | 1 | 6 | 0.451233 |
5zz4 | 2.9 | 2,018 | 9M3 | A | 701 | ic50 | = | 0.67 | nM | -9.173925 | BindingDB | IC50=0.670000nM | Q06187 | Tyrosine-protein kinase BTK | Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc(N)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)n1 | 565.678 | 5.19502 | 135.36 | 6 | 42 | 3 | 8 | 0.290521 |
5zz4 | 2.9 | 2,018 | 9M3 | B | 701 | ic50 | = | 0.67 | nM | -9.173925 | BindingDB | IC50=0.670000nM | Q06187 | Tyrosine-protein kinase BTK | Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc(N)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)n1 | 565.678 | 5.19502 | 135.36 | 6 | 42 | 3 | 8 | 0.290521 |
5zz4 | 2.9 | 2,018 | 9M3 | C | 701 | ic50 | = | 0.67 | nM | -9.173925 | BindingDB | IC50=0.670000nM | Q06187 | Tyrosine-protein kinase BTK | Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc(N)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)n1 | 565.678 | 5.19502 | 135.36 | 6 | 42 | 3 | 8 | 0.290521 |
5zz4 | 2.9 | 2,018 | 9M3 | D | 701 | ic50 | = | 0.67 | nM | -9.173925 | BindingDB | IC50=0.670000nM | Q06187 | Tyrosine-protein kinase BTK | Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc(N)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)n1 | 565.678 | 5.19502 | 135.36 | 6 | 42 | 3 | 8 | 0.290521 |
5zz4 | 2.9 | 2,018 | 9M3 | E | 701 | ic50 | = | 0.67 | nM | -9.173925 | BindingDB | IC50=0.670000nM | Q06187 | Tyrosine-protein kinase BTK | Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc(N)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)n1 | 565.678 | 5.19502 | 135.36 | 6 | 42 | 3 | 8 | 0.290521 |
5zz4 | 2.9 | 2,018 | 9M3 | F | 701 | ic50 | = | 0.67 | nM | -9.173925 | BindingDB | IC50=0.670000nM | Q06187 | Tyrosine-protein kinase BTK | Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc(N)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)n1 | 565.678 | 5.19502 | 135.36 | 6 | 42 | 3 | 8 | 0.290521 |
5zza | 1.53 | 2,018 | LAB | A | 401 | ic50 | = | 8,470 | nM | -5.072117 | BindingDB | IC50=8470nM | P68135 | Actin, alpha skeletal muscle | C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 | 395.521 | 3.3034 | 84.86 | 1 | 27 | 2 | 6 | 0.523415 |
5zza | 1.53 | 2,018 | LAB | P | 201 | ic50 | = | 8,470 | nM | -5.072117 | BindingDB | IC50=8470nM | P68135,A0A1Q9N7W7 | Actin, alpha skeletal muscle,Uncharacterized protein | C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 | 395.521 | 3.3034 | 84.86 | 1 | 27 | 2 | 6 | 0.523415 |
5zzb | 2.3 | 2,018 | LAB | B | 401 | ic50 | = | 8,470 | nM | -5.072117 | BindingDB | IC50=8470nM | P68135 | Actin, alpha skeletal muscle | C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 | 395.521 | 3.3034 | 84.86 | 1 | 27 | 2 | 6 | 0.523415 |
5zzb | 2.3 | 2,018 | LAB | D | 401 | ic50 | = | 8,470 | nM | -5.072117 | BindingDB | IC50=8470nM | P68135 | Actin, alpha skeletal muscle | C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 | 395.521 | 3.3034 | 84.86 | 1 | 27 | 2 | 6 | 0.523415 |
6a04 | 1.9 | 2,019 | C2E | B | 402 | kd | ~ | 6 | uM | -5.221849 | MOAD | Kd~6.0uM | B8XX90,B8XX90 | Stimulator of interferon genes protein,Stimulator of interferon genes protein | Nc1nc2c(ncn2[C@@H]2O[C@@H]3CO[P@@](=O)([O-])O[C@H]4[C@@H](O)[C@H](n5cnc6c(=O)[nH]c(N)nc65)O[C@@H]4CO[P@@](=O)([O-])O[C@H]3[C@H]2O)c(=O)[nH]1 | 688.4 | -4.3122 | 355.28 | 2 | 46 | 6 | 22 | 0.10841 |
6a05 | 2.2 | 2,019 | 1YD | A | 403 | kd | = | 12.8 | nM | -7.89279 | MOAD | Kd=12.8nM | B8XX90,B8XX90 | Stimulator of interferon genes protein,Stimulator of interferon genes protein | Nc1nc2c(ncn2[C@@H]2O[C@H]3CO[P@@](=O)([O-])O[C@@H]4[C@@H](O)[C@H](n5cnc6c(N)ncnc65)O[C@H]4CO[P@@](=O)([O-])O[C@@H]3[C@H]2O)c(=O)[nH]1 | 672.401 | -3.6055 | 335.31 | 2 | 45 | 5 | 22 | 0.128335 |
6a06 | 1.792 | 2,019 | 1SY | B | 403 | kd | = | 3.4 | nM | -8.468521 | MOAD | Kd=3.4nM | B8XX90,B8XX90 | Stimulator of interferon genes protein,Stimulator of interferon genes protein | Nc1nc(=O)c2ncn([C@@H]3O[C@@H]4CO[P@@](=O)([O-])O[C@H]5[C@@H](O)[C@H](n6cnc7c(N)ncnc76)O[C@@H]5CO[P@@](=O)([O-])O[C@@H]3[C@@H]4O)c2[nH]1 | 672.401 | -3.6055 | 335.31 | 2 | 45 | 5 | 22 | 0.128335 |
6a0s | 2.0 | 2,018 | NDP | A | 403 | kd | = | 1.6 | uM | -5.79588 | MOAD | Kd=1.6uM | Q5SL04,Q5SL04 | Homoserine dehydrogenase,Homoserine dehydrogenase | 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 |
6a0s | 2.0 | 2,018 | NDP | B | 403 | kd | = | 1.6 | uM | -5.79588 | MOAD | Kd=1.6uM | Q5SL04,Q5SL04 | Homoserine dehydrogenase,Homoserine dehydrogenase | 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 |
6a1f | 1.5 | 2,018 | 9OF | A | 807 | ic50 | = | 0.33 | uM | -6.481486 | MOAD | ic50=0.33uM | Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | COc1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2 | 255.321 | 2.5681 | 61.03 | 1 | 19 | 1 | 4 | 0.850374 |
6a1g | 2.15 | 2,018 | 9OL | A | 801 | ic50 | = | 0.054 | uM | -7.267606 | MOAD | ic50=0.054uM | Q13627,Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A,Dual specificity tyrosine-phosphorylation-regulated kinase 1A | C=C(c1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2)C1CC[NH2+]CC1 | 335.475 | 2.5461 | 68.41 | 2 | 25 | 2 | 3 | 0.886058 |
6a1g | 2.15 | 2,018 | 9OL | B | 801 | ic50 | = | 0.054 | uM | -7.267606 | MOAD | ic50=0.054uM | Q13627,Q13627 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A,Dual specificity tyrosine-phosphorylation-regulated kinase 1A | C=C(c1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2)C1CC[NH2+]CC1 | 335.475 | 2.5461 | 68.41 | 2 | 25 | 2 | 3 | 0.886058 |
6a2k | 2.38 | 2,019 | 9QO | A | 701 | ki | = | 0.44 | nM | -9.356547 | MOAD | Ki=0.44nM | A7UD81,A7UD81 | Bifunctional dihydrofolate reductase-thymidylate synthase,Bifunctional dihydrofolate reductase-thymidylate synthase | CCc1nc(N)nc(N)c1OCCCOc1cccc(-c2c(N)nc(N)nc2CC)c1 | 424.509 | 2.2351 | 174.1 | 9 | 31 | 4 | 10 | 0.372712 |
6a2k | 2.38 | 2,019 | 9QO | B | 701 | ki | = | 0.44 | nM | -9.356547 | MOAD | Ki=0.44nM | A7UD81,A7UD81 | Bifunctional dihydrofolate reductase-thymidylate synthase,Bifunctional dihydrofolate reductase-thymidylate synthase | CCc1nc(N)nc(N)c1OCCCOc1cccc(-c2c(N)nc(N)nc2CC)c1 | 424.509 | 2.2351 | 174.1 | 9 | 31 | 4 | 10 | 0.372712 |
6a2l | 2.38 | 2,019 | 9QO | A | 701 | ki | = | 2.32 | nM | -8.634512 | MOAD | Ki=2.32nM | D9N170,D9N170 | Bifunctional dihydrofolate reductase-thymidylate synthase,Bifunctional dihydrofolate reductase-thymidylate synthase | CCc1nc(N)nc(N)c1OCCCOc1cccc(-c2c(N)nc(N)nc2CC)c1 | 424.509 | 2.2351 | 174.1 | 9 | 31 | 4 | 10 | 0.372712 |
6a2l | 2.38 | 2,019 | 9QO | B | 701 | ki | = | 2.32 | nM | -8.634512 | MOAD | Ki=2.32nM | D9N170,D9N170 | Bifunctional dihydrofolate reductase-thymidylate synthase,Bifunctional dihydrofolate reductase-thymidylate synthase | CCc1nc(N)nc(N)c1OCCCOc1cccc(-c2c(N)nc(N)nc2CC)c1 | 424.509 | 2.2351 | 174.1 | 9 | 31 | 4 | 10 | 0.372712 |
6a2m | 2.2 | 2,019 | 9QR | A | 701 | ki | = | 0.35 | nM | -9.455932 | MOAD | Ki=0.35nM | A7UD81,A7UD81 | Bifunctional dihydrofolate reductase-thymidylate synthase,Bifunctional dihydrofolate reductase-thymidylate synthase | CCc1nc(N)nc(N)c1OCCCOc1ccc(-c2c(N)nc(N)nc2CC)cc1 | 424.509 | 2.2351 | 174.1 | 9 | 31 | 4 | 10 | 0.372712 |
6a2m | 2.2 | 2,019 | 9QR | B | 701 | ki | = | 0.35 | nM | -9.455932 | MOAD | Ki=0.35nM | A7UD81,A7UD81 | Bifunctional dihydrofolate reductase-thymidylate synthase,Bifunctional dihydrofolate reductase-thymidylate synthase | CCc1nc(N)nc(N)c1OCCCOc1ccc(-c2c(N)nc(N)nc2CC)cc1 | 424.509 | 2.2351 | 174.1 | 9 | 31 | 4 | 10 | 0.372712 |
6a2n | 2.45 | 2,019 | 9QR | A | 701 | ki | = | 6.96 | nM | -8.157391 | MOAD | Ki=6.96nM | D9N170,D9N170 | Bifunctional dihydrofolate reductase-thymidylate synthase,Bifunctional dihydrofolate reductase-thymidylate synthase | CCc1nc(N)nc(N)c1OCCCOc1ccc(-c2c(N)nc(N)nc2CC)cc1 | 424.509 | 2.2351 | 174.1 | 9 | 31 | 4 | 10 | 0.372712 |
6a2n | 2.45 | 2,019 | 9QR | B | 701 | ki | = | 6.96 | nM | -8.157391 | MOAD | Ki=6.96nM | D9N170,D9N170 | Bifunctional dihydrofolate reductase-thymidylate synthase,Bifunctional dihydrofolate reductase-thymidylate synthase | CCc1nc(N)nc(N)c1OCCCOc1ccc(-c2c(N)nc(N)nc2CC)cc1 | 424.509 | 2.2351 | 174.1 | 9 | 31 | 4 | 10 | 0.372712 |
6a3n | 2.6 | 2,019 | 9Q9 | A | 603 | ic50 | = | 8.7 | nM | -8.060481 | BindingDB | IC50=8.7nM | O76083 | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CC[C@H](F)C1 | 362.409 | 1.6055 | 95.91 | 4 | 26 | 2 | 6 | 0.86136 |
6a3n | 2.6 | 2,019 | 9Q9 | B | 603 | ic50 | = | 8.7 | nM | -8.060481 | BindingDB | IC50=8.7nM | O76083 | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)C(=O)N1CC[C@H](F)C1 | 362.409 | 1.6055 | 95.91 | 4 | 26 | 2 | 6 | 0.86136 |
6a5y | 2.1 | 2,018 | 9CR | D | 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 |
6a5z | 2.95 | 2,018 | 9CR | D | 501 | kd | = | 240 | nM | -6.619789 | BindingDB | EC50=100nM,Ki=583nM,IC50=32nM,Kd=240nM | P19793 | Retinoic acid receptor RXR-alpha | CC(C=CC1=C(C)CCCC1(C)C)=C/C=C\C(C)=C\C(=O)[O-] | 299.434 | 4.2679 | 40.13 | 5 | 22 | 0 | 2 | 0.561654 |
6a5z | 2.95 | 2,018 | 9CR | L | 501 | kd | = | 240 | nM | -6.619789 | BindingDB | EC50=100nM,Ki=583nM,IC50=32nM,Kd=240nM | P19793 | Retinoic acid receptor RXR-alpha | CC(C=CC1=C(C)CCCC1(C)C)=C/C=C/C(C)=C/C(=O)[O-] | 299.434 | 4.2679 | 40.13 | 5 | 22 | 0 | 2 | 0.561654 |
6a60 | 3.05 | 2,018 | 064 | A | 501 | ic50 | = | 20 | nM | -7.69897 | BindingDB | EC50=65nM,IC50=20nM | Q96RI1 | Bile acid receptor | CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)[O-])c2)c(Cl)c1 | 541.838 | 7.5381 | 75.39 | 8 | 36 | 0 | 5 | 0.215422 |
6a60 | 3.05 | 2,018 | 9CR | D | 501 | kd | = | 240 | nM | -6.619789 | BindingDB | EC50=100nM,Ki=583nM,IC50=32nM,Kd=240nM | P19793 | Retinoic acid receptor RXR-alpha | CC(C=CC1=C(C)CCCC1(C)C)=CC=C/C(C)=C\C(=O)[O-] | 299.434 | 4.2679 | 40.13 | 5 | 22 | 0 | 2 | 0.561654 |
6a7c | 2.06 | 2,019 | 9QO | A | 202 | ki | = | 22.5 | nM | -7.647817 | MOAD | Ki=22.5nM | P00374 | Dihydrofolate reductase | CCc1nc(N)nc(N)c1OCCCOc1cccc(-c2c(N)nc(N)nc2CC)c1 | 424.509 | 2.2351 | 174.1 | 9 | 31 | 4 | 10 | 0.372712 |
6a7e | 1.85 | 2,019 | 9QR | A | 201 | ki | = | 18.1 | nM | -7.742321 | MOAD | Ki=18.1nM | P00374 | Dihydrofolate reductase | CCc1nc(N)nc(N)c1OCCCOc1ccc(-c2c(N)nc(N)nc2CC)cc1 | 424.509 | 2.2351 | 174.1 | 9 | 31 | 4 | 10 | 0.372712 |
6a7p | 2.28 | 2,018 | 9SC | A | 601 | kd | = | 0.133156 | M | -0.87564 | MOAD | Ka=7.51M^-1 | P02768 | Serum albumin | O=C1CCc2ccc(OCCCC[NH+]3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1 | 449.402 | 3.4422 | 46.01 | 7 | 30 | 2 | 3 | 0.637143 |
6a7p | 2.28 | 2,018 | 9SC | B | 601 | kd | = | 0.133156 | M | -0.87564 | MOAD | Ka=7.51M^-1 | P02768 | Serum albumin | O=C1CCc2ccc(OCCCC[NH+]3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1 | 449.402 | 3.4422 | 46.01 | 7 | 30 | 2 | 3 | 0.637143 |
6a84 | 1.98 | 2,019 | 9SU | A | 1202 | ic50 | = | 5.3 | nM | -8.275724 | MOAD | ic50=5.3nM | Q9H2K2,Q9H2K2 | Tankyrase-2,Tankyrase-2 | O=c1[nH]c(N2CCC3(CC2)CNc2cccc(Cl)c23)nc2c1CCCC2 | 370.884 | 3.2658 | 61.02 | 1 | 26 | 2 | 4 | 0.808407 |
6a8s | 2.05 | 2,019 | CYS | A | 315 | kd | = | 0 | M | -7.19382 | MOAD | Kd=6.4e-08M | C6XGT2,C6XGT2 | Putative amino acid-binding periplasmic ABC transporter protein,Putative amino acid-binding periplasmic ABC transporter protein | [NH3+][C@@H](CS)C(=O)[O-] | 121.161 | -2.7234 | 67.77 | 2 | 7 | 2 | 3 | 0.389598 |
6a8s | 2.05 | 2,019 | CYS | B | 316 | kd | = | 0 | M | -7.19382 | MOAD | Kd=6.4e-08M | C6XGT2,C6XGT2 | Putative amino acid-binding periplasmic ABC transporter protein,Putative amino acid-binding periplasmic ABC transporter protein | [NH3+][C@@H](CS)C(=O)[O-] | 121.161 | -2.7234 | 67.77 | 2 | 7 | 2 | 3 | 0.389598 |
6aa4 | 1.9 | 2,019 | MKS | A | 203 | ic50 | = | 0.47 | uM | -6.327902 | MOAD | ic50=0.47uM | P36639 | 7,8-dihydro-8-oxoguanine triphosphatase | COc1c(O)cc2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C | 410.466 | 5.089 | 100.13 | 5 | 30 | 3 | 6 | 0.400171 |
6aa5 | 1.901 | 2,019 | MKU | A | 201 | ic50 | = | 0.052 | uM | -7.283997 | MOAD | ic50=0.052uM | P36639 | 7,8-dihydro-8-oxoguanine triphosphatase | COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)CCC(C)(C)O4 | 410.466 | 4.9783 | 89.13 | 3 | 30 | 2 | 6 | 0.467663 |
6aad | 1.444 | 2,019 | 9TU | A | 505 | kd | = | 1.62 | mM | -2.790485 | MOAD | Kd=1.62mM | Q8PWY1 | Pyrrolysine--tRNA ligase | [NH3+][C@@H](CCCCNC(=O)OCc1cccc(C2(C(F)(F)F)N=N2)c1)C(=O)[O-] | 388.346 | 0.6244 | 130.82 | 9 | 27 | 2 | 6 | 0.600622 |
6aah | 1.83 | 2,018 | 9T6 | A | 1201 | ic50 | = | 3.9 | nM | -8.408935 | BindingDB | IC50=3.9nM | P23458,P23458 | Tyrosine-protein kinase JAK1,Tyrosine-protein kinase JAK1 | NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](O)(C3)C2 | 326.4 | 2.0133 | 104.03 | 3 | 24 | 4 | 4 | 0.692371 |
6aah | 1.83 | 2,018 | 9T6 | B | 1201 | ic50 | = | 3.9 | nM | -8.408935 | BindingDB | IC50=3.9nM | P23458 | Tyrosine-protein kinase JAK1 | NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](O)(C3)C2 | 326.4 | 2.0133 | 104.03 | 3 | 24 | 4 | 4 | 0.692371 |
6aaj | 2.37 | 2,018 | 9T6 | A | 1201 | ic50 | = | 5 | nM | -8.30103 | BindingDB | IC50=5.0nM | O60674 | Tyrosine-protein kinase JAK2 | NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](O)(C3)C2 | 326.4 | 2.0133 | 104.03 | 3 | 24 | 4 | 4 | 0.692371 |
6aaj | 2.37 | 2,018 | 9T6 | B | 1201 | ic50 | = | 5 | nM | -8.30103 | BindingDB | IC50=5.0nM | O60674 | Tyrosine-protein kinase JAK2 | NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](O)(C3)C2 | 326.4 | 2.0133 | 104.03 | 3 | 24 | 4 | 4 | 0.692371 |
6aak | 2.67 | 2,018 | 9T6 | A | 1201 | ic50 | = | 0.7 | nM | -9.154902 | BindingDB | IC50=0.700000nM | P52333 | Tyrosine-protein kinase JAK3 | NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](O)(C3)C2 | 326.4 | 2.0133 | 104.03 | 3 | 24 | 4 | 4 | 0.692371 |
6aak | 2.67 | 2,018 | 9T6 | B | 1201 | ic50 | = | 0.7 | nM | -9.154902 | BindingDB | IC50=0.700000nM | P52333 | Tyrosine-protein kinase JAK3 | NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](O)(C3)C2 | 326.4 | 2.0133 | 104.03 | 3 | 24 | 4 | 4 | 0.692371 |
6aak | 2.67 | 2,018 | 9T6 | C | 1201 | ic50 | = | 0.7 | nM | -9.154902 | BindingDB | IC50=0.700000nM | P52333 | Tyrosine-protein kinase JAK3 | NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](O)(C3)C2 | 326.4 | 2.0133 | 104.03 | 3 | 24 | 4 | 4 | 0.692371 |
6aak | 2.67 | 2,018 | 9T6 | D | 1201 | ic50 | = | 0.7 | nM | -9.154902 | BindingDB | IC50=0.700000nM | P52333 | Tyrosine-protein kinase JAK3 | NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](O)(C3)C2 | 326.4 | 2.0133 | 104.03 | 3 | 24 | 4 | 4 | 0.692371 |
6aam | 1.98 | 2,018 | 9T6 | A | 1201 | ic50 | = | 4.8 | nM | -8.318759 | BindingDB | IC50=4.8nM | P29597 | Non-receptor tyrosine-protein kinase TYK2 | NC(=O)c1cnc2[nH]ccc2c1N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](O)(C3)C2 | 326.4 | 2.0133 | 104.03 | 3 | 24 | 4 | 4 | 0.692371 |
6aan | 1.51 | 2,019 | 9TX | A | 505 | kd | = | 1.76 | mM | -2.754487 | MOAD | Kd=1.76mM | Q8PWY1 | Pyrrolysine--tRNA ligase | C#Cc1cccc(COC(=O)NCCCC[C@H]([NH3+])C(=O)[O-])c1 | 304.346 | -0.5752 | 106.1 | 8 | 22 | 2 | 4 | 0.495019 |
6aao | 1.403 | 2,019 | 9U0 | A | 505 | kd | = | 7.8 | mM | -2.107905 | MOAD | Kd=7.8mM | Q8PWY1 | Pyrrolysine--tRNA ligase | [NH3+][C@@H](CCCCNC(=O)O[C@@H]1C=CCCCCC1)C(=O)[O-] | 298.383 | 0.1322 | 106.1 | 7 | 21 | 2 | 4 | 0.514485 |
6aaq | 1.551 | 2,019 | 9U9 | A | 505 | kd | = | 3.9 | mM | -2.408935 | MOAD | Kd=3.9mM | Q8PWY1 | Pyrrolysine--tRNA ligase | [NH3+][C@@H](CCCCNC(=O)OC[C@@H]1[C@@H]2CCC#CCC[C@@H]21)C(=O)[O-] | 322.405 | -0.3171 | 106.1 | 8 | 23 | 2 | 4 | 0.471768 |
6abp | 1.67 | 1,991 | ARB | A | 308 | kd | = | 0.44 | uM | -6.356547 | MOAD | Kd=0.44uM | P02924 | L-ARABINOSE-BINDING PROTEIN | O[C@@H]1[C@@H](O)[C@@H](O)OC[C@@H]1O | 150.13 | -2.5823 | 90.15 | 0 | 10 | 4 | 5 | 0.30425 |
6abp | 1.67 | 1,991 | ARA | A | 307 | kd | = | 0.44 | uM | -6.356547 | MOAD | Kd=0.44uM | P02924 | L-ARABINOSE-BINDING PROTEIN | O[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1O | 150.13 | -2.5823 | 90.15 | 0 | 10 | 4 | 5 | 0.30425 |
6abx | 1.7 | 2,019 | FLC | A | 401 | ki | = | 7.19 | mM | -2.143271 | MOAD | Ki=7.19mM | A4YGX6,A4YGX6 | Citrate synthase,Citrate synthase | O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-] | 189.099 | -5.2526 | 140.62 | 5 | 13 | 1 | 7 | 0.454904 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.