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
CHEMBL3923027		IC50	=	0.22	nM	395.45	CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1	Homo sapiens	CHEMBL3887481	cell membrane format
CHEMBL3916499		IC50	=	0.28	nM	415.5	CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1	Homo sapiens	CHEMBL3887481	cell membrane format
CHEMBL3895047		IC50	=	0.32	nM	419.47	CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCc1ccc(C(=O)O)cc1	Homo sapiens	CHEMBL3887481	cell membrane format
CHEMBL64804		IC50	=	0.38	nM	352.47	CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O	Homo sapiens	CHEMBL3887481	cell membrane format
CHEMBL4535971		IC50	=	0.4	nM	458.44	C/C=C/c1nnn(Cc2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1	Homo sapiens	CHEMBL4380455	cell-based format
CHEMBL3955128		IC50	=	0.57	nM	375.46	CCCCC[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O	Homo sapiens	CHEMBL3887481	cell membrane format
CHEMBL548		IC50	=	0.7	nM	352.47	CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O	Homo sapiens	CHEMBL765917	cell-based format
CHEMBL3975743		IC50	=	0.74	nM	491.6	C[C@@H](CCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1	Homo sapiens	CHEMBL3887481	cell membrane format
CHEMBL3982139		IC50	=	1.2	nM	385.45	CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O	Homo sapiens	CHEMBL3887481	cell membrane format
CHEMBL3918816		IC50	=	1.3	nM	399.48	CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O	Homo sapiens	CHEMBL3887481	cell membrane format
CHEMBL275667		IC50	=	1.4	nM	383.5	O=C1CC[C@H](/C=C/[C@@H](O)Cc2ccccc2)N1CCCCCCc1nnn[nH]1	Homo sapiens	CHEMBL767814	cell-based format
CHEMBL378376		IC50	=	2.0	nM	469.52	O=C(O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)s1	Homo sapiens	CHEMBL5242761	cell-based format
CHEMBL5272661		IC50	=	2.0	nM	509.63	CC(C)CC(=O)c1ccc(CCCN2C(=O)CC[C@@H]2CC[C@@H](O)Cc2cccc(C(F)(F)F)c2)s1	Homo sapiens	CHEMBL5242761	cell-based format
CHEMBL1910022		IC50	=	2.0	nM	455.43	C[C@H](NC(=O)c1cccc2c1Oc1cc(C(F)(F)F)ccc1CC2)c1ccc(C(=O)O)cc1	Homo sapiens	CHEMBL1913308	cell-based format
CHEMBL4099851		IC50	=	2.4	nM	414.82	C[C@H](NC(=O)c1cc(Cl)cnc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1	Homo sapiens	CHEMBL3997110	cell-based format
CHEMBL3897335		IC50	=	2.4	nM	451.55	C[C@@H](CCCc1ccccc1)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCCCCC(=O)O	Homo sapiens	CHEMBL3887481	cell membrane format
CHEMBL3949856		IC50	=	3.3	nM	439.52	CCC#CC[C@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCCc1ccc(C(=O)O)s1	Homo sapiens	CHEMBL3887481	cell membrane format
CHEMBL3964563		IC50	=	4.0	nM	400.52	CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)Cc2ccccc2)[C@@H]1O	Homo sapiens	CHEMBL3887098	cell-free format
CHEMBL1910023		IC50	=	4.0	nM	467.44	O=C(O)c1ccc(C2(NC(=O)c3cccc4c3Oc3cc(C(F)(F)F)ccc3CC4)CC2)cc1	Homo sapiens	CHEMBL1913308	cell-based format
CHEMBL1669018		IC50	=	4.6	nM	578.71	CCOc1c2c(c(OCC)c3ccccc13)C(=O)N(c1ccc(CC3(NC(=O)Cc4ccccc4OC)CC3)cc1C)C2	Homo sapiens	CHEMBL1671179	cell-based format