3D structures mapped by conservation among orthologs

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

 PyMOL session

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 IC50 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
CHEMBL5273903		IC50	=	0.7	nM	509.63	CC(C)c1cc(-c2ccc(F)cc2)nn2cc(C(=O)N3CCN(C(=O)[C@H](O)CC(C)(C)C)[C@@H](C)C3)nc12	Homo sapiens	CHEMBL5237491	cell-based format
CHEMBL463763		IC50	=	23.0	nM	360.41	CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@@H]2O	Homo sapiens	CHEMBL2432072	cell-based format
CHEMBL5431335		IC50	=	23.0	nM	571.48	CC(C1CCCCC1)n1c(-c2cc3c(cc2Br)OCO3)nc2cc(C(=O)Nc3ccc(C#N)cc3)ccc21	Homo sapiens	CHEMBL5326190	cell-based format
CHEMBL4128763		IC50	=	23.0	nM	571.48	C[C@@H](C1CCCCC1)n1c(-c2cc3c(cc2Br)OCO3)nc2cc(C(=O)Nc3ccc(C#N)cc3)ccc21	Homo sapiens	CHEMBL5388674	single protein format
CHEMBL5404935		IC50	=	90.0	nM	540.42	C[C@@H](c1ccccc1)n1c(-c2cc3c(cc2Br)OCO3)nc2cc(C(=O)Nc3ccccc3)ccc21	Homo sapiens	CHEMBL5388674	single protein format
CHEMBL2431717		IC50	=	500.0	nM	498.62	CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)NCc1ccccc1OC	Homo sapiens	CHEMBL3757294	cell-based format
CHEMBL3752235		IC50	=	1000.0	nM	540.71	CCC(C)Oc1ccccc1CNC(=O)[C@@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)[C@@H](C)CC	Homo sapiens	CHEMBL3757294	cell-based format
CHEMBL2431617		IC50	=	1000.0	nM	546.71	CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC2(C=Cc3ccccc32)CC1	Homo sapiens	CHEMBL3757294	cell-based format