3D structures mapped by conservation among orthologs

[ Domain: "Family A G protein-coupled receptor-like" // 7tm_1_3 ]

 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
CHEMBL3652592		IC50	=	0.025	nM	382.4	Cn1nccc1-c1cc(NC(=O)C(=O)c2ccc(F)cc2)ccc1OCCN	Homo sapiens	CHEMBL3705572	single protein format
CHEMBL3665544		IC50	=	0.082	nM	496.92	COCCNCCOc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1c(Cl)cnn1C	Homo sapiens	CHEMBL3705112	single protein format
CHEMBL3652595		IC50	=	0.26	nM	444.89	Cn1ncc(Cl)c1-c1cc(NC(=O)C2CCC(C(F)(F)F)CC2)ccc1OCCN	Homo sapiens	CHEMBL3705572	single protein format
CHEMBL85		IC50	=	0.346	nM	410.49	Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2	Homo sapiens	CHEMBL1909211	cell membrane format
CHEMBL19215		IC50	=	0.395	nM	403.53	CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21	Homo sapiens	CHEMBL1909211	cell membrane format
CHEMBL708		IC50	=	0.42	nM	412.95	O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1	Homo sapiens	CHEMBL881230	single protein format
CHEMBL602284		IC50	=	0.5	nM	523.72	O=S(=O)(c1ccc2ccccc2c1)N(CCCN1CCN(c2ccc(F)cc2)CC1)CC1CCCCC1	Homo sapiens	CHEMBL1067143	cell-based format
CHEMBL3665547		IC50	=	0.51	nM	401.85	COc1cccc(C(=O)Nc2ccc(OCCO)c(-c3c(Cl)cnn3C)c2)c1	Homo sapiens	CHEMBL3705112	single protein format
CHEMBL3306803		IC50	=	0.54	nM	393.51	CN1CCN2c3c(cccc31)[C@@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@@H]12	Homo sapiens	CHEMBL4710571	single protein format
CHEMBL194837		IC50	=	0.61	nM	448.35	Cc1cc(OCCN(C)C)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12	Homo sapiens	CHEMBL881489	single protein format
CHEMBL4128926		IC50	=	0.64	nM	583.78	CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12	Homo sapiens	CHEMBL4121500	single protein format
CHEMBL600012		IC50	=	0.7	nM	505.73	O=S(=O)(c1ccc2ccccc2c1)N(CCCN1CCN(c2ccccc2)CC1)CC1CCCCC1	Homo sapiens	CHEMBL1067143	cell-based format
CHEMBL221250		IC50	=	0.8	nM	301.41	CCC1(NC2=NCCNC(c3ccc(F)cc3)=C2)CCCC1	Homo sapiens	CHEMBL853921	cell-based format
CHEMBL516		IC50	=	0.973	nM	287.41	CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1	Homo sapiens	CHEMBL1909211	cell membrane format
CHEMBL3652594		IC50	=	1.0	nM	456.83	Cn1ncc(Cl)c1-c1cc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1OCCN	Homo sapiens	CHEMBL3705572	single protein format
CHEMBL373966		IC50	=	1.1	nM	319.4	CCC1(NC2=NCCNC(c3ccc(F)cc3F)=C2)CCCC1	Homo sapiens	CHEMBL853921	cell-based format
CHEMBL447864		IC50	=	1.18	nM	261.75	CNCc1ccc(Cl)cc1Oc1ccc(C)cc1	Homo sapiens	CHEMBL962308	single protein format
CHEMBL3652596		IC50	=	1.2	nM	483.78	Cn1ncc(Cl)c1-c1cc(NC(=O)C(=O)c2cc(Br)cs2)ccc1OCCN	Homo sapiens	CHEMBL3705572	single protein format
CHEMBL436513		IC50	=	1.4	nM	319.4	CC(C)(NC1=NCCNC(c2ccc(F)cc2F)=C1)C1CCC1	Homo sapiens	CHEMBL853921	cell-based format
CHEMBL219265		IC50	=	1.5	nM	289.4	CCC(C)(CC)NC1=NCCNC(c2ccc(F)cc2)=C1	Homo sapiens	CHEMBL853921	cell-based format