3D structures mapped by conservation among orthologs

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

 PyMOL session

[ Domain: "Cytochromes" // Flavodoxin_1 ]

 PyMOL session

[ Domain: "Frizzled cysteine-rich domain-related" // Fz ]

 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
CHEMBL4632769		IC50	=	0.08	nM	398.47	Cc1cc(C)c(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1	Homo sapiens	CHEMBL4610911	cell-based format
CHEMBL4637222		IC50	=	0.2	nM	412.49	Cc1cc(C)c(-c2cn(C)cn2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1	Homo sapiens	CHEMBL4610911	cell-based format
CHEMBL1083915		IC50	=	0.4	nM	422.53	Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)C[C@H]3C)c3ccccc23)cc1	Homo sapiens	CHEMBL1120457	cell-based format
CHEMBL1086467		IC50	=	0.7	nM	442.95	C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(Cl)cc2)c2ccccc12	Homo sapiens	CHEMBL1120457	cell-based format
CHEMBL538867		IC50	=	1.4	nM	504.78	CC1=C2C[C@H]3[C@@H](CC[C@@H]4C[C@H](NS(C)(=O)=O)CC[C@@]43C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C	Homo sapiens	CHEMBL1031015	cell-based format
CHEMBL1084835		IC50	=	2.2	nM	408.51	C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccccc12	Homo sapiens	CHEMBL1120457	cell-based format
CHEMBL1084730		IC50	=	2.3	nM	448.57	C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C3CC3)cc2)c2ccccc12	Homo sapiens	CHEMBL1120457	cell-based format
CHEMBL2059863		IC50	=	2.4	nM	452.44	Cc1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1	Homo sapiens	CHEMBL2061994	cell-based format
CHEMBL2059865		IC50	=	2.4	nM	384.44	Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2ccccn2)cc1	Homo sapiens	CHEMBL4610911	cell-based format
CHEMBL2059864		IC50	=	2.6	nM	398.47	Cc1cnc(-c2ccc(C)c(NC(=O)c3ccc(OCc4ccccn4)cc3)c2)[nH]1	Homo sapiens	CHEMBL2061994	cell-based format
CHEMBL1084734		IC50	=	2.7	nM	438.53	C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(CO)cc2)c2ccccc12	Homo sapiens	CHEMBL1120457	cell-based format
CHEMBL1084738		IC50	=	2.8	nM	476.5	C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(F)(F)F)cc2)c2ccccc12	Homo sapiens	CHEMBL1120457	cell-based format
CHEMBL1823863		IC50	=	3.0	nM	409.49	Cn1c(-c2noc(N3CCN(C(=O)NC4CCCCC4)CC3)n2)nc2ccccc21	Homo sapiens	CHEMBL1827521	cell-based format
CHEMBL1084736		IC50	=	3.1	nM	433.52	C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C#N)cc2)c2ccccc12	Homo sapiens	CHEMBL1120457	cell-based format
CHEMBL1083284		IC50	=	3.2	nM	422.53	Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4)[C@@H](C)C3)c3ccccc23)cc1	Homo sapiens	CHEMBL1120457	cell-based format
CHEMBL1083914		IC50	=	3.6	nM	476.5	C[C@H]1CN(c2nnc(-c3ccc(C(F)(F)F)cc3)c3ccccc23)CCN1C(=O)c1ccccc1	Homo sapiens	CHEMBL1120457	cell-based format
CHEMBL4441310		IC50	=	3.9	nM	494.67	Cc1ccc(NCc2ccnn2-c2nnc(N3CCC(C(=O)NC4CCCCC4C)CC3)s2)nc1	Homo sapiens	CHEMBL4394253	cell-based format
CHEMBL2160067		IC50	=	4.0	nM	497.0	C[C@@H]1CN(c2ccc3c(Nc4ccc(Cl)c(-c5ncc(-c6ccccc6)[nH]5)c4)nccc3n2)CCO1	Homo sapiens	CHEMBL2161257	cell-based format
CHEMBL1813106		IC50	=	4.0	nM	501.97	O=C(Nc1cccnc1-c1cccc(Cl)c1)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1	Homo sapiens	CHEMBL1816319	cell-based format
CHEMBL2142592		IC50	=	4.17	nM	512.51	CN(C(=O)c1ccc(F)cc1C(F)(F)F)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1	Homo sapiens	CHEMBL4628152	cell-based format