3D structures mapped by conservation among orthologs

[ Domain: "Cholecystokinin A receptor, N-domain" // CholecysA-Rec_N ]

 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
CHEMBL509519		IC50	=	0.03	nM	592.63	Cc1ccc(-c2nc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)cn2-c2ccc3c(c2)OCCO3)c(F)c1	Homo sapiens	CHEMBL994440	single protein format
CHEMBL505225		IC50	=	0.03	nM	578.6	O=C(O)c1cc(N2CCN(C(=O)c3cn(-c4ccc5c(c4)OCCO5)c(-c4ccc(F)cc4)n3)CC2)cc2ccccc12	Homo sapiens	CHEMBL994440	single protein format
CHEMBL504861		IC50	=	0.04	nM	578.64	CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2F)c1	Homo sapiens	CHEMBL976507	single protein format
CHEMBL510690		IC50	=	0.07	nM	582.61	CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(F)cc2F)c1	Homo sapiens	CHEMBL994440	single protein format
CHEMBL9506		IC50	=	0.08	nM	408.46	CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)N=C(c2ccccc2)c2ccccc21	Homo sapiens	CHEMBL1004238	single protein format
CHEMBL498942		IC50	=	0.08	nM	564.62	CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(F)cc2)c1	Homo sapiens	CHEMBL994440	single protein format
CHEMBL4128926		IC50	=	0.12	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	CHEMBL4121474	single protein format
CHEMBL475679		IC50	=	0.12	nM	535.58	O=C(c1cn(-c2ccc3c(c2)OCCO3)c(-c2ccc(F)cc2)n1)N1CCN(c2cnc3ccccc3c2)CC1	Homo sapiens	CHEMBL994440	single protein format
CHEMBL505727		IC50	=	0.12	nM	560.65	CCOc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1	Homo sapiens	CHEMBL976507	single protein format
CHEMBL448221		IC50	=	0.14	nM	546.63	COc1cccc(-n2cc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1	Homo sapiens	CHEMBL994440	single protein format
CHEMBL451644		IC50	=	0.14	nM	574.64	Cc1ccc(-c2nc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)cn2-c2ccc3c(c2)OCCO3)cc1	Homo sapiens	CHEMBL994440	single protein format
CHEMBL1773891		IC50	=	0.18	nM	543.63	Cc1ccc(-c2nc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)ncc2-c2ccc3c(c2)OCCO3)cc1	Homo sapiens	CHEMBL1775460	cell-based format
CHEMBL514953		IC50	=	0.2	nM	531.62	Cc1ccc(-c2nc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)cn2-c2ccc3c(c2)OCCO3)cc1	Homo sapiens	CHEMBL994440	single protein format
CHEMBL1774043		IC50	=	0.22	nM	576.63	COc1ccc(-c2cnc(C(=O)N3CCN(c4cc(C(=O)O)c5ccccc5c4)CC3)nc2-c2ccc(C)cc2F)cc1	Homo sapiens	CHEMBL1775460	cell-based format
CHEMBL502924		IC50	=	0.24	nM	589.7	CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)C[C@@H]3COC(C)=O)nc2-c2ccc(C)cc2)c1	Homo sapiens	CHEMBL976507	single protein format
CHEMBL474067		IC50	=	0.24	nM	535.62	CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2ccc(C)cc2F)c1	Homo sapiens	CHEMBL994440	single protein format
CHEMBL450443		IC50	=	0.25	nM	588.71	CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)C[C@@H]3CNC(C)=O)nc2-c2ccc(C)cc2)c1	Homo sapiens	CHEMBL976507	single protein format
CHEMBL1774033		IC50	=	0.26	nM	533.61	COc1ccc(-c2cnc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2ccc(C)cc2F)cc1	Homo sapiens	CHEMBL1775460	cell-based format
CHEMBL503331		IC50	=	0.39	nM	588.71	CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)C[C@H]3CNC(C)=O)nc2-c2ccc(C)cc2)c1	Homo sapiens	CHEMBL976507	single protein format
CHEMBL478398		IC50	=	0.42	nM	530.63	Cc1ccc(-c2nc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)cn2-c2ccc3c(c2)OCCO3)cc1	Homo sapiens	CHEMBL994440	single protein format