3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_2 ]

 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
CHEMBL3806205		IC50	=	0.01	nM	409.51	CCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1	Homo sapiens	CHEMBL3807062	cell-based format
CHEMBL4637401		IC50	=	0.014	nM	459.52	COc1ccccc1CC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1	Homo sapiens	CHEMBL4767216	cell membrane format
CHEMBL4752394		IC50	=	0.016	nM	425.51	COCCCCC[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1	Homo sapiens	CHEMBL4736698	cell membrane format
CHEMBL4786296		IC50	=	0.04	nM	411.48	CCOCCC[C@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1	Homo sapiens	CHEMBL4736698	cell membrane format
CHEMBL115554		IC50	=	0.1	nM	371.46	CCCCCCCCc1ccc(CC[C@@H](N)C[C@@H](O)P(=O)(O)O)cc1	Homo sapiens	CHEMBL806167	cell-based format
CHEMBL4474984		IC50	=	0.11	nM	542.51	O=C(O)C[C@H]1CCCN(CC(O)c2ccc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)cc2)C1	Homo sapiens	CHEMBL4426198	cell-based format
CHEMBL3671362		IC50	=	0.12	nM	468.57	Cc1cc(-c2noc(CCC3(c4ccc(F)cc4)CCCCC3)n2)cc(C)c1OC[C@@H](O)CO	Homo sapiens	CHEMBL3705958	cell-based format
CHEMBL4569675		IC50	=	0.13	nM	462.51	CCCc1c(-c2nc(-c3ccc(C(O)CNCCC(=O)O)cc3)no2)noc1-c1ccccc1	Homo sapiens	CHEMBL4426198	cell-based format
CHEMBL515921		IC50	=	0.14	nM	420.42	CCCCCCCCOc1ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc1F	Homo sapiens	CHEMBL1029035	single protein format
CHEMBL184879		IC50	=	0.16	nM	381.5	CCCCCCCCCc1ccc(C2CCC(CCP(=O)(O)O)N2)cc1	Homo sapiens	CHEMBL833009	cell-based format
CHEMBL225155		IC50	=	0.16	nM	379.48	CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)(O)O	Homo sapiens	CHEMBL806167	cell-based format
CHEMBL190006		IC50	=	0.16	nM	387.46	CCCCCCCCc1ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc1	Homo sapiens	CHEMBL1101466	cell-based format
CHEMBL113344		IC50	=	0.16	nM	371.46	CCCCCCCCc1ccc(CCC(N)CC(O)P(=O)(O)O)cc1	Homo sapiens	CHEMBL806167	cell-based format
CHEMBL181597		IC50	=	0.16	nM	395.52	CCCCCCCCCc1ccc(CN[C@H]2CCC[C@H](P(=O)(O)O)C2)cc1	Homo sapiens	CHEMBL833009	cell-based format
CHEMBL118860		IC50	=	0.2	nM	355.46	CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1	Homo sapiens	CHEMBL800921	cell-based format
CHEMBL470511		IC50	=	0.2	nM	459.48	C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCCCCCc3ccccc3)cc2)c[nH]1	Homo sapiens	CHEMBL980648	single protein format
CHEMBL4457691		IC50	=	0.21	nM	516.6	CCCc1c(-c2nc(-c3ccc(C(O)CN4CCC[C@H](CC(=O)O)C4)cc3)no2)noc1-c1ccccc1	Homo sapiens	CHEMBL4426198	cell-based format
CHEMBL3676128		IC50	=	0.21	nM	463.55	O=C(O)C1CN(Cc2ccc(-c3noc(CCC4(c5ccc(F)cc5)CCCCC4)n3)cc2)C1	Homo sapiens	CHEMBL3705958	cell-based format
CHEMBL473156		IC50	=	0.21	nM	436.45	C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCCc2ccccc2)cc1	Homo sapiens	CHEMBL980648	single protein format
CHEMBL1093823		IC50	=	0.23	nM	547.47	C[C@](N)(COP(=O)(O)O)c1nc(-c2ccc(OCc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)c2)c[nH]1	Homo sapiens	CHEMBL1108112	cell-based format