3D structures mapped by conservation among orthologs

[ Domain: "Cyclophilin-like" // Pro_isomerase ]

 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
CHEMBL559525		IC50	=	1.52	nM	380.81	O=C(NC(=O)c1c(F)cccc1Cl)NC1c2ccccc2-c2ccccc21	Homo sapiens	CHEMBL1056315	single protein format
CHEMBL560851		IC50	=	2.59	nM	397.26	O=C(NC(=O)c1c(Cl)cccc1Cl)NC1c2ccccc2-c2ccccc21	Homo sapiens	CHEMBL1056315	single protein format
CHEMBL3752642		IC50	=	5.5	nM	597.76	COc1cc(C(C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)c2ccc(C(C)C)cc2)cc(OC)c1OC	Homo sapiens	CHEMBL3754980	single protein format
CHEMBL3754544		IC50	=	11.2	nM	594.51	COc1ccc(CCC(=O)N(c2ccc(Br)cc2)C(C(=O)NC2CCCCC2)c2ccc([N+](=O)[O-])cc2)cc1	Homo sapiens	CHEMBL3754980	single protein format
CHEMBL560115		IC50	=	12.1	nM	434.5	O=C(NC(=O)c1ccccc1OCc1ccccc1)NC1c2ccccc2-c2ccccc21	Homo sapiens	CHEMBL1056315	single protein format
CHEMBL203193		IC50	=	14.0	nM	364.36	O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ncccc1OCc1ccccc1	Homo sapiens	CHEMBL869970	single protein format
CHEMBL5268140		IC50	=	14.0	nM	363.37	O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccccc1OCc1ccccc1	Homo sapiens	CHEMBL5253384	single protein format
CHEMBL203194		IC50	=	20.0	nM	391.43	CCOC(=O)c1ccc(NC(=O)Nc2ncccc2OCc2ccccc2)cc1	Homo sapiens	CHEMBL869970	single protein format
CHEMBL559858		IC50	=	31.6	nM	360.37	O=C(NC(=O)c1c(O)cccc1O)NC1c2ccccc2-c2ccccc21	Homo sapiens	CHEMBL1056315	single protein format
CHEMBL1770807		IC50	=	33.11	nM	358.4	N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O	Homo sapiens	CHEMBL1772770	single protein format
CHEMBL373254		IC50	=	60.0	nM	398.44	NS(=O)(=O)c1ccc(NC(=O)Nc2ncccc2OCc2ccccc2)cc1	Homo sapiens	CHEMBL869970	single protein format
CHEMBL201395		IC50	=	60.0	nM	364.36	O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ncccc1OCc1ccccc1	Homo sapiens	CHEMBL869970	single protein format
CHEMBL201645		IC50	=	71.0	nM	363.37	O=C(Nc1cccc(C(=O)O)c1)Nc1ncccc1OCc1ccccc1	Homo sapiens	CHEMBL869970	single protein format
CHEMBL557628		IC50	=	71.2	nM	353.38	N#Cc1ccccc1C(=O)NC(=O)NC1c2ccccc2-c2ccccc21	Homo sapiens	CHEMBL1056315	single protein format
CHEMBL4092230		IC50	=	100.0	nM	474.63	CSc1ccccc1C1CCCN1C(=O)C(NC(=O)NCc1ccc(N)cc1)c1ccccc1	Homo sapiens	CHEMBL4668627	assay format
CHEMBL560173		IC50	=	103.0	nM	362.82	O=C(NC(=O)c1ccccc1Cl)NC1c2ccccc2-c2ccccc21	Homo sapiens	CHEMBL1056315	single protein format
CHEMBL489041		IC50	=	130.0	nM	424.96	O=S(=O)(Nc1nccs1)c1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1	Homo sapiens	CHEMBL960175	single protein format
CHEMBL549755		IC50	=	136.0	nM	278.31	O=C(NC(=O)c1c(O)cccc1O)NC1CCCCC1	Homo sapiens	CHEMBL1056315	single protein format
CHEMBL201664		IC50	=	140.0	nM	363.37	O=C(Nc1ccc(C(=O)O)cc1)Nc1ncccc1OCc1ccccc1	Homo sapiens	CHEMBL869970	single protein format
CHEMBL551508		IC50	=	159.0	nM	346.36	O=C(NC(=O)c1ccccc1F)NC1c2ccccc2-c2ccccc21	Homo sapiens	CHEMBL1056315	single protein format