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Q12809 | KCNH2_HUMAN | Potassium voltage-gated channel subfamily H member 2 (KCNH2)

3D structures mapped by conservation among orthologs

[ Domain: "Double-stranded beta-helix" // cNMP_binding_1 ]

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[ Domain: "sensor domains" // PAS ]

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[ Domain: "Voltage-gated ion channels" // Ion_trans_2_1 ]

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[ Domain: pdbs with more than 2 multi-domains ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL1257821 OBDepict H 3 C N H H H O O NH 2 IC50 = 0.14 nM 350.46 Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](Oc2cccc(C(N)=O)c2)C3)cc1 Homo sapiens CHEMBL1259359 single protein format
CHEMBL1257820 OBDepict NH 2 O O H H N H IC50 = 0.25 nM 364.49 NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCCc2ccccc2)c1 Homo sapiens CHEMBL1259359 single protein format
CHEMBL1257578 OBDepict H 3 C S N H H H O O NH 2 IC50 = 0.26 nM 356.49 Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](Oc2cccc(C(N)=O)c2)C3)s1 Homo sapiens CHEMBL1259359 single protein format
CHEMBL1257698 OBDepict NH 2 O O H H N H IC50 = 0.38 nM 350.46 NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCc2ccccc2)c1 Homo sapiens CHEMBL1259359 single protein format
CHEMBL227134 OBDepict _ O + N O N O N N O HN S NH O O CH 3 S O O CH 3 Ki = 0.39 nM 590.64 CS(=O)(=O)Nc1ccc(CCN(CCOc2ccc(NS(C)(=O)=O)cc2)c2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL889315 cell-based format
CHEMBL3422978 OBDepict O N H O N N H O N N F F F IC50 = 0.39 nM 513.52 O=C1COc2ccc(CNC34CCC(CCc5ccnc6cc(C(F)(F)F)cnc56)(CC3)OC4)nc2N1 Homo sapiens CHEMBL3424851 single protein format
CHEMBL598270 OBDepict H 3 C S O O _ O CH 3 + N H 3 C CH 3 Cl Ki = 0.4 nM 510.18 CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1.Cc1ccc(S(=O)(=O)[O-])cc1 Homo sapiens CHEMBL3096732 cell-based format
CHEMBL410832 OBDepict CH 3 O O N N N IC50 = 0.41 nM 375.47 COC1OC2(CCN(Cc3ccccc3)CC2)c2cnn(-c3ccccc3)c21 Homo sapiens CHEMBL922329 single protein format
CHEMBL1257577 OBDepict NH 2 O O H H N H S IC50 = 0.43 nM 342.46 NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cccs2)c1 Homo sapiens CHEMBL1259359 single protein format
CHEMBL1257937 OBDepict CH 3 N H H H O O NH 2 IC50 = 0.52 nM 350.46 Cc1cccc(CN2[C@H]3CC[C@@H]2C[C@@H](Oc2cccc(C(N)=O)c2)C3)c1 Homo sapiens CHEMBL1259359 single protein format
CHEMBL1085090 OBDepict CH 3 N H H N N S Ki = 0.55 nM 321.45 CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3sccc3c2)cn1 Homo sapiens CHEMBL1118597 assay format
CHEMBL1085806 OBDepict CH 3 N H H N N N S Ki = 0.56 nM 322.44 CN1C[C@@H]2C[C@H]1CN2c1ncc(-c2ccc3sccc3c2)cn1 Homo sapiens CHEMBL1118597 assay format
CHEMBL1223951 OBDepict NH 2 O O H H N H IC50 = 0.61 nM 336.44 NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)c1 Homo sapiens CHEMBL1259359 single protein format
CHEMBL1258280 OBDepict H 2 N O O H H N H O O IC50 = 0.62 nM 380.44 NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccc3c(c2)OCO3)c1 Homo sapiens CHEMBL1259359 single protein format
CHEMBL1257938 OBDepict NH 2 O O H H N H H 3 C IC50 = 0.62 nM 350.46 Cc1ccccc1CN1[C@H]2CC[C@@H]1C[C@@H](Oc1cccc(C(N)=O)c1)C2 Homo sapiens CHEMBL1259359 single protein format
CHEMBL259732 OBDepict CH 3 N O O N N CH 3 IC50 = 0.65 nM 341.46 CCCCN1CCC2(CC1)OC(OC)c1c2cnn1-c1ccccc1 Homo sapiens CHEMBL922329 single protein format
CHEMBL1642479 OBDepict O N O O N IC50 = 0.67 nM 440.54 O=c1cc(OCc2ccc3ccccc3c2)ccn1-c1ccc(OCCN2CCCC2)cc1 Homo sapiens CHEMBL1648563 cell-based format
CHEMBL1258503 OBDepict O N H N H H H O O NH 2 IC50 = 0.72 nM 379.46 NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC(=O)Nc2ccccc2)c1 Homo sapiens CHEMBL1259359 single protein format
CHEMBL3422952 OBDepict H 3 C O N F N F O HN N NH O O IC50 = 0.73 nM 511.53 COc1nc2c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c(F)cnc2cc1F Homo sapiens CHEMBL3424851 single protein format
CHEMBL1091775 OBDepict H H 3 C N S N Ki = 0.73 nM 322.48 C[C@@H](c1ccccn1)c1c(CCN2CCC2)sc2ccccc12 Homo sapiens CHEMBL1106982 cell-based format
CHEMBL2146867 OBDepict CH 3 N N + N + N O _ O O _ O IC50 = 0.76 nM 398.46 CC1CN(CCc2ccc([N+](=O)[O-])cc2)CCN1CCc1ccc([N+](=O)[O-])cc1 Homo sapiens CHEMBL2148626 single protein format
CHEMBL1642487 OBDepict CH 3 N O N O O IC50 = 0.81 nM 440.54 CN(CCOc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1)Cc1ccccc1 Homo sapiens CHEMBL1648563 cell-based format
CHEMBL3422970 OBDepict N CH 3 N N O N H N N H O O IC50 = 0.87 nM 484.56 Cc1nc2c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)ccnc2cc1C#N Homo sapiens CHEMBL3424851 single protein format
CHEMBL3422959 OBDepict O N H O N N H O F N N F F F IC50 = 0.89 nM 531.51 O=C1COc2ccc(CNC34CCC(CCc5c(F)cnc6cc(C(F)(F)F)cnc56)(CC3)OC4)nc2N1 Homo sapiens CHEMBL3424851 single protein format
CHEMBL296419 OBDepict CH 3 O N N H N N F IC50 = 0.9 nM 458.58 COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 Homo sapiens CHEMBL768686 single protein format
CHEMBL1258725 OBDepict H 2 N O O H H N H IC50 = 0.95 nM 376.5 NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3C2CCCc3ccccc32)c1 Homo sapiens CHEMBL1259359 single protein format
CHEMBL4171244 OBDepict H 3 C O O HN O N H N O H N N CH 3 IC50 = 0.95 nM 565.67 COC(=O)c1ccc2c(c1)NC(=O)/C2=C(Nc1ccc(N2C(=O)CC[C@H]2CN2CCN(C)CC2)cc1)c1ccccc1 Homo sapiens CHEMBL4136264 single protein format
CHEMBL3422977 OBDepict O N H O N N H O N N F F F IC50 = 0.99 nM 513.52 O=C1COc2ccc(CNC34CCC(CCc5ccnc6ccc(C(F)(F)F)nc56)(CC3)OC4)nc2N1 Homo sapiens CHEMBL3424851 single protein format
CHEMBL4592045 OBDepict H 3 C F N CH 3 N O N N CH 3 N H O IC50 = 1.0 nM 453.56 CCc1cc(F)c2nc(N3CCC(NC4CCOCC4)CC3)c(-c3nc(C)no3)c(C)c2c1 Homo sapiens CHEMBL4424285 cell-based format
CHEMBL4457529 OBDepict CH 3 O CH 3 H 3 C N Cl N H Cl N H O NH 2 IC50 = 1.1 nM 423.34 COCC(C)(C)C#Cc1c(Cl)c2c(Cl)cc(C(N)=O)nc2n1[C@H]1CCCNC1 Homo sapiens CHEMBL4373005 single protein format
CHEMBL3422954 OBDepict H 3 C O N CH 3 N F O NH N N H O O IC50 = 1.19 nM 521.59 CCOc1cc(C)c2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 Homo sapiens CHEMBL3424851 single protein format
CHEMBL1642476 OBDepict H 3 C O O N O O N IC50 = 1.2 nM 420.51 COc1ccc(COc2ccn(-c3ccc(OCCN4CCCC4)cc3)c(=O)c2)cc1 Homo sapiens CHEMBL1648563 cell-based format
CHEMBL1084022 OBDepict CH 3 N H H N N N S Ki = 1.2 nM 322.44 CN1C[C@@H]2C[C@H]1CN2c1cnc(-c2ccc3sccc3c2)cn1 Homo sapiens CHEMBL1118597 assay format
CHEMBL3422976 OBDepict O N H O N N H O N N N CH 3 H 3 C F IC50 = 1.21 nM 506.58 CN(C)c1nc2c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)ccnc2cc1F Homo sapiens CHEMBL3424851 single protein format
CHEMBL1644470 OBDepict H N H H H O N Ki = 1.3 nM 280.37 c1ccc(-c2cccc(O[C@H]3C[C@@H]4CC[C@H](C3)N4)n2)cc1 Homo sapiens CHEMBL1647515 single protein format
CHEMBL1085805 OBDepict CH 3 N H H N N N O Ki = 1.3 nM 306.37 CN1C[C@@H]2C[C@H]1CN2c1ncc(-c2ccc3occc3c2)cn1 Homo sapiens CHEMBL1118597 assay format
CHEMBL204828 OBDepict O N H O O N Cl Cl O O IC50 = 1.4 nM 475.33 O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(=O)c2cc(Cl)c(Cl)cc2o1 Homo sapiens CHEMBL909940 single protein format
CHEMBL4170680 OBDepict H 3 C O O HN O N H N O H N N CH 3 IC50 = 1.4 nM 565.67 COC(=O)c1ccc2c(c1)NC(=O)/C2=C(Nc1ccc(N2C(=O)CC[C@@H]2CN2CCN(C)CC2)cc1)c1ccccc1 Homo sapiens CHEMBL4136264 single protein format
CHEMBL4466764 OBDepict NH 2 O N Cl N Cl H NH O O IC50 = 1.4 nM 423.3 NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3COCCO3)n([C@H]3CCCNC3)c2n1 Homo sapiens CHEMBL4373005 single protein format
CHEMBL3422964 OBDepict H 3 C O N O CH 3 N O NH N N H O O IC50 = 1.43 nM 505.58 COc1cc2nccc(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2nc1OC Homo sapiens CHEMBL3424851 single protein format
CHEMBL1258047 OBDepict NH 2 O O H H N H N IC50 = 1.5 nM 337.42 NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccncc2)c1 Homo sapiens CHEMBL1259359 single protein format
CHEMBL3093957 OBDepict CH 3 + N H 3 C CH 3 Cl _ I IC50 = 1.5 nM 463.88 CCCCCCC[N+](CC)(CC)C/C=C/Cc1ccc(Cl)cc1.[I-] Homo sapiens CHEMBL3096732 cell-based format
CHEMBL3422966 OBDepict H 3 C O N N N O N H N N H O O IC50 = 1.6 nM 500.56 COc1nc2c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)ccnc2cc1C#N Homo sapiens CHEMBL3424851 single protein format
CHEMBL1258616 OBDepict H 3 C S N CH 3 H H H O O NH 2 IC50 = 1.6 nM 370.52 Cc1ccc(C(C)N2[C@H]3CC[C@@H]2C[C@@H](Oc2cccc(C(N)=O)c2)C3)s1 Homo sapiens CHEMBL1259359 single protein format
CHEMBL3422962 OBDepict N N N N O N H N N H O O IC50 = 1.66 nM 495.54 N#Cc1ccc2ncc(C#N)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 Homo sapiens CHEMBL3424851 single protein format
CHEMBL1204009 OBDepict H 3 C O O O N OH H N H H 3 C CH 3 ClH IC50 = 1.7 nM 511.06 CCOC(=O)CCc1ccc(OC[C@H](O)CNC(C)(C)Cc2ccc3ccccc3c2)c(C#N)c1.Cl Homo sapiens CHEMBL1052905 single protein format
CHEMBL4528544 OBDepict NH 2 O N Cl N Cl H NH O IC50 = 1.7 nM 421.33 NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CCOCC3)n([C@H]3CCCNC3)c2n1 Homo sapiens CHEMBL4373005 single protein format
CHEMBL3422957 OBDepict H 3 C O N F F F N F O N H N N H O O IC50 = 1.7 nM 561.54 COc1nc2c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c(F)cnc2cc1C(F)(F)F Homo sapiens CHEMBL3424851 single protein format
CHEMBL1642493 OBDepict CH 3 N CH 3 N CH 3 N O O IC50 = 1.7 nM 405.54 CCN(CC)CCN(C)c1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1 Homo sapiens CHEMBL1648563 cell-based format
CHEMBL1642475 OBDepict Cl O N O O N IC50 = 1.7 nM 424.93 O=c1cc(OCc2ccc(Cl)cc2)ccn1-c1ccc(OCCN2CCCC2)cc1 Homo sapiens CHEMBL1648563 cell-based format
CHEMBL3422968 OBDepict H 3 C O N O CH 3 N O NH N N H O O IC50 = 1.78 nM 505.58 COc1cc(OC)c2nccc(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 Homo sapiens CHEMBL3424851 single protein format
CHEMBL1257227 OBDepict NH 2 O O H H N H CH 3 H IC50 = 1.8 nM 350.46 C[C@@H](c1ccccc1)N1[C@H]2CC[C@@H]1C[C@@H](Oc1cccc(C(N)=O)c1)C2 Homo sapiens CHEMBL1259359 single protein format
CHEMBL1083302 OBDepict CH 3 N H H N N N S Ki = 1.8 nM 322.44 CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3sccc3c2)nn1 Homo sapiens CHEMBL1118597 assay format
CHEMBL1086525 OBDepict CH 3 N H H N N N N H F F F Ki = 1.85 nM 373.38 CN1C[C@@H]2C[C@H]1CN2c1ncc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cn1 Homo sapiens CHEMBL1118597 assay format
CHEMBL1082786 OBDepict CH 3 N H H N N N N H F F F Ki = 1.9 nM 373.38 CN1C[C@@H]2C[C@H]1CN2c1cnc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cn1 Homo sapiens CHEMBL1118597 assay format
CHEMBL1258164 OBDepict NH 2 O O H H N H N IC50 = 1.9 nM 337.42 NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2ccccn2)c1 Homo sapiens CHEMBL1259359 single protein format
CHEMBL1642474 OBDepict Cl O N O O N IC50 = 1.9 nM 424.93 O=c1cc(OCc2cccc(Cl)c2)ccn1-c1ccc(OCCN2CCCC2)cc1 Homo sapiens CHEMBL1648563 cell-based format
CHEMBL3422971 OBDepict N N O H 3 C N O NH N N H O O IC50 = 1.96 nM 500.56 COc1cc2nccc(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2nc1C#N Homo sapiens CHEMBL3424851 single protein format
CHEMBL1086481 OBDepict CH 3 N H H N N N H F F F Ki = 2.0 nM 372.39 CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)cn1 Homo sapiens CHEMBL1118597 assay format
CHEMBL1258279 OBDepict NH 2 O O H H N H IC50 = 2.0 nM 342.48 NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3CC2CCCCC2)c1 Homo sapiens CHEMBL1259359 single protein format
CHEMBL3422973 OBDepict N N CH 3 N O N H N N H O O IC50 = 2.08 nM 484.56 Cc1cc(C#N)nc2c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)ccnc12 Homo sapiens CHEMBL3424851 single protein format
CHEMBL3422983 OBDepict H 3 C O N N OH N O N H N N H O O IC50 = 2.13 nM 516.56 COc1ccc2ncc(C#N)c(CC(O)C34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 Homo sapiens CHEMBL3424851 single protein format
CHEMBL1083614 OBDepict CH 3 N H H N N N N H F F F Ki = 2.2 nM 373.38 CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)nn1 Homo sapiens CHEMBL1118597 assay format
CHEMBL3422975 OBDepict O N H O N N H O N N N H 3 C CH 3 F F F IC50 = 2.29 nM 556.59 CN(C)c1nc2c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)ccnc2cc1C(F)(F)F Homo sapiens CHEMBL3424851 single protein format
CHEMBL1642477 OBDepict O N O O N F F F IC50 = 2.4 nM 458.48 O=c1cc(OCc2ccc(C(F)(F)F)cc2)ccn1-c1ccc(OCCN2CCCC2)cc1 Homo sapiens CHEMBL1648563 cell-based format
CHEMBL2046893 OBDepict F N N H F IC50 = 2.4 nM 366.45 Fc1ccc(N(CCNCCCc2ccccc2)c2ccc(F)cc2)cc1 Homo sapiens CHEMBL2051179 cell-based format
CHEMBL3422965 OBDepict H 3 C O N F N O HN N NH O O IC50 = 2.49 nM 493.54 COc1nc2c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)ccnc2cc1F Homo sapiens CHEMBL3424851 single protein format
CHEMBL217706 OBDepict Br O O NH O N O O IC50 = 2.5 nM 485.33 O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(=O)c2ccc(Br)cc2o1 Homo sapiens CHEMBL909940 single protein format
CHEMBL502835 OBDepict CH 3 O O NH O N H N CH 3 O N N H 3 C IC50 = 2.6 nM 539.64 COC(=O)c1ccc2c(c1)NC(=O)/C2=C(Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1 Homo sapiens CHEMBL4136264 single protein format
CHEMBL1085089 OBDepict CH 3 N H H N N O Ki = 2.7 nM 305.38 CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3occc3c2)cn1 Homo sapiens CHEMBL1118597 assay format
CHEMBL1257347 OBDepict H 3 C S N CH 3 H H H H O O NH 2 IC50 = 2.8 nM 370.52 Cc1ccc([C@@H](C)N2[C@H]3CC[C@@H]2C[C@@H](Oc2cccc(C(N)=O)c2)C3)s1 Homo sapiens CHEMBL1259359 single protein format
CHEMBL1255595 OBDepict H 3 C O N H H H O O NH 2 IC50 = 2.8 nM 340.42 Cc1ccc(CN2[C@H]3CC[C@@H]2C[C@@H](Oc2cccc(C(N)=O)c2)C3)o1 Homo sapiens CHEMBL1259359 single protein format
CHEMBL1085779 OBDepict H N N N H H N CH 3 Ki = 2.9 nM 304.4 CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3cc[nH]c3c2)cn1 Homo sapiens CHEMBL1118597 assay format
CHEMBL3422953 OBDepict H 3 C O N CH 3 N F O HN N N H O O IC50 = 2.9 nM 507.57 COc1cc(C)c2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 Homo sapiens CHEMBL3424851 single protein format
CHEMBL1642472 OBDepict F O N O O N IC50 = 2.9 nM 408.47 O=c1cc(OCc2cccc(F)c2)ccn1-c1ccc(OCCN2CCCC2)cc1 Homo sapiens CHEMBL1648563 cell-based format
CHEMBL4540910 OBDepict H 3 C O N Cl N H Cl N H O H 2 N IC50 = 3.0 nM 395.29 COCCC#Cc1c(Cl)c2c(Cl)cc(C(N)=O)nc2n1[C@H]1CCCNC1 Homo sapiens CHEMBL4373005 single protein format
CHEMBL1257458 OBDepict H 3 C N N H 3 C H H H H O O NH 2 IC50 = 3.0 nM 365.48 Cc1ccc([C@@H](C)N2[C@H]3CC[C@@H]2C[C@@H](Oc2cccc(C(N)=O)c2)C3)cn1 Homo sapiens CHEMBL1259359 single protein format
CHEMBL4445116 OBDepict N CH 3 CH 3 N Cl N H Cl N H O NH 2 IC50 = 3.0 nM 418.33 CC(C)(C#N)CC#Cc1c(Cl)c2c(Cl)cc(C(N)=O)nc2n1[C@H]1CCCNC1 Homo sapiens CHEMBL4373005 single protein format
CHEMBL3086045 OBDepict Cl N H H H H N O CH 3 IC50 = 3.0 nM 549.16 Cc1ccccc1[C@H]1C[C@@H](NCc2ccc(Cl)cc2)CC[C@@H]1C(=O)N1CC(c2ccccc2)(c2ccccc2)C1 Homo sapiens CHEMBL3090534 single protein format
CHEMBL1761103 OBDepict CH 3 N H O N N N Cl IC50 = 3.0 nM 487.05 CC(=O)Nc1cccc(C2CCN(CCCn3c(-c4ccc(Cl)cc4)nc4ccccc43)CC2)c1 Homo sapiens CHEMBL1764027 assay format
CHEMBL227134 OBDepict _ O + N O N O N N O HN S NH O O CH 3 S O O CH 3 IC50 < 3.0 nM 590.64 CS(=O)(=O)Nc1ccc(CCN(CCOc2ccc(NS(C)(=O)=O)cc2)c2ccc([N+](=O)[O-])c3nonc23)cc1 Homo sapiens CHEMBL889312 cell-based format
CHEMBL12713 OBDepict Cl N N F N O NH IC50 = 3.0 nM 440.95 O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1 Homo sapiens CHEMBL766816 cell-based format
CHEMBL4470576 OBDepict H 2 N O N Cl N Cl H HN H 3 C O IC50 = 3.0 nM 407.3 CC1(C#Cc2c(Cl)c3c(Cl)cc(C(N)=O)nc3n2[C@H]2CCCNC2)COC1 Homo sapiens CHEMBL4373005 single protein format
CHEMBL2146865 OBDepict CH 3 N + N N O _ O + N O _ O IC50 = 3.1 nM 398.46 CC(CN1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1)c1ccc([N+](=O)[O-])cc1 Homo sapiens CHEMBL2148626 single protein format
CHEMBL382741 OBDepict N O OH H N H H 3 C H 3 C IC50 = 3.2 nM 374.48 CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccccc1C#N Homo sapiens CHEMBL1052905 single protein format
CHEMBL3422948 OBDepict O N H O N N H O F N N NH 2 IC50 = 3.21 nM 478.53 Nc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 Homo sapiens CHEMBL3424851 single protein format
CHEMBL3422961 OBDepict O N H O N N H O F N N Cl IC50 = 3.27 nM 497.96 O=C1COc2ccc(CNC34CCC(CCc5c(F)cnc6cc(Cl)cnc56)(CC3)OC4)nc2N1 Homo sapiens CHEMBL3424851 single protein format
CHEMBL4207128 OBDepict CH 3 O N N H N N IC50 = 3.27 nM 446.64 COc1ccc(CCN2CCC(Nc3nc4ccccc4n3CC3CCCCC3)CC2)cc1 Homo sapiens CHEMBL4180224 cell-based format
CHEMBL1257579 OBDepict Cl N N H 3 C H H H H O O NH 2 IC50 = 3.3 nM 385.89 C[C@H](c1ccc(Cl)nc1)N1[C@H]2CC[C@@H]1C[C@@H](Oc1cccc(C(N)=O)c1)C2 Homo sapiens CHEMBL1259359 single protein format
CHEMBL1258048 OBDepict NH 2 O O H H N H N IC50 = 3.5 nM 337.42 NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3Cc2cccnc2)c1 Homo sapiens CHEMBL1259359 single protein format
CHEMBL217789 OBDepict Cl O O NH O N O O IC50 = 3.6 nM 440.88 O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(=O)c2ccc(Cl)cc2o1 Homo sapiens CHEMBL909940 single protein format
CHEMBL213715 OBDepict F O F O O NH O N O O IC50 = 3.6 nM 472.44 O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(=O)c2ccc(OC(F)F)cc2o1 Homo sapiens CHEMBL909940 single protein format
CHEMBL1258962 OBDepict H 3 C N H H N H O O NH 2 IC50 = 3.7 nM 351.45 CC(c1ccncc1)N1[C@H]2CC[C@@H]1C[C@@H](Oc1cccc(C(N)=O)c1)C2 Homo sapiens CHEMBL1259359 single protein format
CHEMBL3422947 OBDepict N N N F O N H N N H O O IC50 = 3.87 nM 488.52 N#Cc1ccc2ncc(F)c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c2n1 Homo sapiens CHEMBL3424851 single protein format
CHEMBL2146866 OBDepict H 3 C N N + N O _ O + N O _ O IC50 = 3.9 nM 398.46 CC(Cc1ccc([N+](=O)[O-])cc1)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 Homo sapiens CHEMBL2148626 single protein format
CHEMBL214731 OBDepict F O O HN O N O O IC50 = 4.0 nM 424.43 O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(=O)c2cc(F)ccc2o1 Homo sapiens CHEMBL909940 single protein format
CHEMBL4541837 OBDepict CH 3 O CH 3 CH 3 N Cl N H Cl N H O NH 2 IC50 = 4.0 nM 423.34 COC(C)(C)CC#Cc1c(Cl)c2c(Cl)cc(C(N)=O)nc2n1[C@H]1CCCNC1 Homo sapiens CHEMBL4373005 single protein format
CHEMBL4475043 OBDepict H NH 2 H CH 3 O N N N N H N Cl Cl IC50 = 4.0 nM 433.34 C[C@@H]1OCC2(CCN(c3cnc4c(-c5cccc(Cl)c5Cl)n[nH]c4n3)CC2)[C@@H]1N Homo sapiens CHEMBL4414124 single protein format
CHEMBL3422963 OBDepict H 3 C O N Cl N O HN N NH O O IC50 = 4.2 nM 509.99 COc1nc2c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)ccnc2cc1Cl Homo sapiens CHEMBL3424851 single protein format
CHEMBL3422969 OBDepict CH 3 O N N O H 3 C O N H N N H O O IC50 = 4.21 nM 505.58 COc1cc(CCC23CCC(NCc4ccc5c(n4)NC(=O)CO5)(CC2)CO3)c2nc(OC)ccc2n1 Homo sapiens CHEMBL3424851 single protein format