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P11712 | CP2C9_HUMAN | Cytochrome P450 2C9 (CYP2C9)

3D structures mapped by conservation among orthologs

[ Domain: "Cytochrome P450" // p450 ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL388590 OBDepict CH 3 O O Br Br HO IC50 = 16.0 nM 424.09 CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 Homo sapiens CHEMBL1909135 cell-based format
CHEMBL104 OBDepict Cl N N IC50 = 16.0 nM 344.85 Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 Homo sapiens CHEMBL1909135 cell-based format
CHEMBL3898132 OBDepict H 3 C N N N N H N N Br N N IC50 = 30.0 nM 453.35 Cn1cc(-c2nc3c(N4CCN(Cc5cccnc5)CC4)c(Br)cnc3[nH]2)cn1 Homo sapiens CHEMBL3889069 single protein format
CHEMBL3645225 OBDepict H 3 C N H O O CH 3 O CH 3 IC50 = 30.0 nM 347.41 CNC(=O)/C=C/c1cc(OC)cc(-c2ccc3cc(OC)ccc3c2)c1 Homo sapiens CHEMBL3707849 single protein format
CHEMBL2207500 OBDepict CH 3 N N H 3 C N N H N N Cl N N N O IC50 = 30.0 nM 413.87 Cc1nn(C)cc1-c1nc2c(N3CCN(Cc4ncon4)CC3)c(Cl)cnc2[nH]1 Homo sapiens CHEMBL3889069 single protein format
CHEMBL3891461 OBDepict CH 3 N N H 3 C N N H 3 C H N N Br N N IC50 = 30.0 nM 481.4 Cc1nn(C)c(C)c1-c1nc2c(N3CCN(Cc4cccnc4)CC3)c(Br)cnc2[nH]1 Homo sapiens CHEMBL3889069 single protein format
CHEMBL2207501 OBDepict H 3 C N N CH 3 N N H N N Cl N N N O CH 3 IC50 = 30.0 nM 427.9 Cc1nc(CN2CCN(c3c(Cl)cnc4[nH]c(-c5cn(C)nc5C)nc34)CC2)no1 Homo sapiens CHEMBL3889069 single protein format
CHEMBL2207503 OBDepict Cl N N Cl N N N H N CH 3 N H 3 C IC50 = 30.0 nM 456.38 Cc1nn(C)cc1-c1nc2c(N3CCN(Cc4ccc(Cl)cc4)CC3)c(Cl)cnc2[nH]1 Homo sapiens CHEMBL3889069 single protein format
CHEMBL3645217 OBDepict O N H O OH OH OH IC50 = 150.0 nM 427.46 O=C(O)CCC(=O)Nc1ccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)cc1 Homo sapiens CHEMBL3707849 single protein format
CHEMBL1221 OBDepict Cl S N Cl N Cl IC50 = 200.0 nM 397.76 Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 Homo sapiens CHEMBL1909135 cell-based format
CHEMBL808 OBDepict Cl O N Cl N Cl IC50 = 200.0 nM 381.69 Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 Homo sapiens CHEMBL1909135 cell-based format
CHEMBL1109 OBDepict H 2 N S HN O O N N IC50 = 200.0 nM 314.37 Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1 Homo sapiens CHEMBL1909135 cell-based format
CHEMBL91 OBDepict Cl Cl O N Cl N Cl IC50 = 200.0 nM 416.14 Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 Homo sapiens CHEMBL1909135 cell-based format
CHEMBL1650646 OBDepict CH 3 O N OH OH IC50 = 224.0 nM 343.38 COc1ccc(-c2c(O)ccc3cc(-c4cccc(O)c4)ccc23)cn1 Homo sapiens CHEMBL3707849 single protein format
CHEMBL475534 OBDepict CH 3 O O H 3 C HN CH 3 O O + N CH 3 O _ O IC50 = 300.0 nM 360.37 CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 Homo sapiens CHEMBL1909135 cell-based format
CHEMBL1466 OBDepict O O OH O O OH IC50 = 300.0 nM 336.3 O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O Homo sapiens CHEMBL1909135 cell-based format
CHEMBL1479 OBDepict CH OH CH 3 H H H CH 3 N O IC50 = 300.0 nM 337.46 C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C Homo sapiens CHEMBL1909135 cell-based format
CHEMBL3969750 OBDepict CH 3 HN CH 3 HN O N N N N H 3 C N O IC50 = 400.0 nM 553.63 CNC(C)C(=O)Nc1ccc(-c2c(-c3ccncc3)nc3cc(C)ccn23)c(C#Cc2ccc(-c3ccon3)cc2)n1 Homo sapiens CHEMBL3889226 tissue-based format
CHEMBL2220442 OBDepict OH O OH HO N H 3 C CH 3 F IC50 = 400.0 nM 411.47 CC(C)n1c(/C=C/C(O)CC(O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21 Homo sapiens CHEMBL1909135 cell-based format
CHEMBL3910478 OBDepict CH 3 HN CH 3 HN O N N N N H 3 C N H 3 C IC50 = 400.0 nM 551.65 CNC(C)C(=O)Nc1ccc(-c2c(-c3ccncc3)nc3cc(C)ccn23)c(C#Cc2ccc3nc(C)ccc3c2)n1 Homo sapiens CHEMBL3889226 tissue-based format
CHEMBL3925961 OBDepict CH 3 HN CH 3 HN O N N N N H 3 C N IC50 = 400.0 nM 537.63 CNC(C)C(=O)Nc1ccc(-c2c(-c3ccncc3)nc3cc(C)ccn23)c(C#Cc2ccc3ncccc3c2)n1 Homo sapiens CHEMBL3889226 tissue-based format
CHEMBL3287894 OBDepict CH 3 O N HN O N O CH 3 CH 3 O OH IC50 = 500.0 nM 475.55 CCC1CN(C(=O)Nc2ccccc2)c2ccc(-c3ccc(OCC(C)(C)C(=O)O)nc3)cc2O1 Homo sapiens CHEMBL3294185 single protein format
CHEMBL1908355 OBDepict Cl N O OH O H 2 N S IC50 = 700.0 nM 320.76 NC(=O)N1C(=O)/C(=C(O)c2cccs2)c2cc(Cl)ccc21 Homo sapiens CHEMBL1909135 cell-based format
CHEMBL3947193 OBDepict CH 3 HN CH 3 HN O N N N O N H 3 C N CH 3 O IC50 = 700.0 nM 571.64 CNC(C)C(=O)Nc1ccc(-c2c(-c3ccncc3)nc3cc(C)ccn23)c(C#Cc2ccc3c(c2)OCC(=O)N3C)n1 Homo sapiens CHEMBL3889226 tissue-based format
CHEMBL4786690 OBDepict Cl HN O CH 3 H H H N F IC50 = 740.0 nM 410.92 C[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1 Homo sapiens CHEMBL4824894 single protein format
CHEMBL3934839 OBDepict CH 3 HN CH 3 HN O N N N N H 3 C N CH 3 O IC50 = 900.0 nM 567.65 CNC(C)C(=O)Nc1ccc(-c2c(-c3ccncc3)nc3cc(C)ccn23)c(C#Cc2ccc3c(ccc(=O)n3C)c2)n1 Homo sapiens CHEMBL3889226 tissue-based format
CHEMBL1200604 OBDepict CH 3 N O HO N IC50 = 1000.0 nM 284.36 CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1 Homo sapiens CHEMBL1909135 cell-based format
CHEMBL60889 OBDepict H 3 C O H 2 N HN O Cl O N F IC50 = 1000.0 nM 421.9 CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(F)cc2)CCO1 Homo sapiens CHEMBL1909135 cell-based format
CHEMBL1428 OBDepict H 3 C O O O CH 3 NH CH 3 O O + N O _ O H 3 C CH 3 IC50 = 1000.0 nM 418.45 COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1 Homo sapiens CHEMBL1909135 cell-based format
CHEMBL1909050 OBDepict CH 3 N O IC50 = 1000.0 nM 293.41 Cc1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 Homo sapiens CHEMBL1909135 cell-based format
CHEMBL115769 OBDepict CH 3 O NH 2 N N H N F IC50 = 1000.0 nM 334.35 COc1cc(N)[nH]c2nc(-c3ccc(F)cc3)c(-c3ccncc3)c1-2 Homo sapiens CHEMBL1909135 cell-based format
CHEMBL10 OBDepict F N N H N + S H 3 C _ O IC50 = 1000.0 nM 377.44 C[S+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 Homo sapiens CHEMBL1909135 cell-based format