3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_1 ]

 PyMOL session

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_1,Cytochrom_B562_1 ]

 PyMOL session

[ Domain: "Cytochromes" // 7tm_1_1 ]

 PyMOL session

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 IC50 CSV    Ki CSV

Only the first 20 rows are shown.

molecule_chembl_id	structure	assay_type	relation	value	unit	mol_wt	smiles	organism	assay_chembl_id	bao_label
CHEMBL7550		IC50	=	0.2	nM	409.5	CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	Homo sapiens	CHEMBL1670671	single protein format
CHEMBL1017		IC50	=	0.33	nM	514.63	CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1	Homo sapiens	CHEMBL1949357	single protein format
CHEMBL157510		IC50	=	0.58	nM	545.68	COc1ccc2c(c1OCc1ccccc1)C[C@@H](C(=O)[O-])N(C(=O)C(c1ccccc1)c1ccccc1)C2.[K+]	Homo sapiens	CHEMBL643791	cell membrane format
CHEMBL34124		IC50	=	0.58	nM	507.59	COc1ccc2c(c1OCc1ccccc1)C[C@@H](C(=O)O)N(C(=O)C(c1ccccc1)c1ccccc1)C2	Homo sapiens	CHEMBL647513	single protein format
CHEMBL289614		IC50	=	0.7	nM	576.76	CCCCOC(=O)NS(=O)(=O)c1ccc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1	Homo sapiens	CHEMBL648580	cell membrane format
CHEMBL155836		IC50	=	0.84	nM	507.59	COc1ccc2c(c1OCc1ccccc1)CC(C(=O)O)N(C(=O)C(c1ccccc1)c1ccccc1)C2	Homo sapiens	CHEMBL643791	cell membrane format
CHEMBL290829		IC50	=	0.89	nM	520.59	O=C(O)[C@@H]1CN(C(=O)N(c2ccccc2)c2ccccc2)CCN1C(=O)N(c1ccccc1)c1ccccc1	Homo sapiens	CHEMBL643791	cell membrane format
CHEMBL294512		IC50	=	1.0	nM	573.69	CCCc1nc(CC)c(C(=O)OC)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F	Homo sapiens	CHEMBL643595	single protein format
CHEMBL154057		IC50	=	1.1	nM	499.61	COc1ccc2c(c1OCc1ccccc1)CC(C(=O)O)N(C(=O)C(c1ccccc1)C1CCCC1)C2	Homo sapiens	CHEMBL643791	cell membrane format
CHEMBL156100		IC50	=	1.9	nM	551.64	COc1ccc(COc2c(OC)ccc3c2CC(C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1C	Homo sapiens	CHEMBL643791	cell membrane format
CHEMBL288174		IC50	=	2.0	nM	582.79	CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1	Homo sapiens	CHEMBL648581	cell membrane format
CHEMBL58156		IC50	=	2.3	nM	415.53	CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccsc2-c2nn[nH]n2)cc1	Homo sapiens	CHEMBL1670671	single protein format
CHEMBL39959		IC50	=	4.2	nM	562.74	CCCCOC(=O)NS(=O)(=O)c1ccc(CCC)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1	Homo sapiens	CHEMBL648580	cell membrane format
CHEMBL156129		IC50	=	4.8	nM	521.61	COc1ccc2c(c1OCCc1ccccc1)CC(C(=O)O)N(C(=O)C(c1ccccc1)c1ccccc1)C2	Homo sapiens	CHEMBL643791	cell membrane format
CHEMBL348363		IC50	=	5.8	nM	508.57	COc1ccc2c(c1OCc1ccccc1)CC(C(=O)O)N(C(=O)N(c1ccccc1)c1ccccc1)C2	Homo sapiens	CHEMBL643791	cell membrane format
CHEMBL2435825		IC50	=	6.0	nM	503.6	CCCc1nc2c(C)cc(NC(=O)c3ccccc3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1	Homo sapiens	CHEMBL2439560	single protein format
CHEMBL177435		IC50	=	6.7	nM	448.53	CCCc1nc(-c2ccccc2)c(C=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	Homo sapiens	CHEMBL647512	single protein format
CHEMBL315275		IC50	=	8.2	nM	588.75	CCCCc1nc(SC)c(C(C)(O)C(=O)O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)NCCC)cc1	Homo sapiens	CHEMBL643790	cell membrane format
CHEMBL155728		IC50	=	9.4	nM	446.5	COc1ccc2c(c1OCc1ccccc1)CC(C(=O)O)N(C(=O)N(C)c1ccccc1)C2	Homo sapiens	CHEMBL643791	cell membrane format
CHEMBL1668008		IC50	=	10.0	nM	474.95	CCCCc1nc(Cl)c2n1C(c1ccc(-c3ccccc3-c3nnn[nH]3)cc1)CC(C(=O)O)=C2	Homo sapiens	CHEMBL1670671	single protein format