3D structures mapped by conservation among orthologs

[ 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
CHEMBL361962		IC50	=	0.023	nM	324.34	O=c1[nH]c2c(S(=O)(=O)c3ccccc3)csc2c(=O)n1O	Homo sapiens	CHEMBL832425	single protein format
CHEMBL361011		IC50	=	0.028	nM	260.27	O=c1[nH]c2c(-c3ccccc3)csc2c(=O)n1O	Homo sapiens	CHEMBL832425	single protein format
CHEMBL183133		IC50	=	0.061	nM	258.23	O=c1[nH]c2c(Cc3ccccc3)coc2c(=O)n1O	Homo sapiens	CHEMBL832425	single protein format
CHEMBL359533		IC50	=	0.062	nM	234.24	O=c1[nH]c2c(sc3ccccc32)c(=O)n1O	Homo sapiens	CHEMBL832425	single protein format
CHEMBL361350		IC50	=	0.101	nM	184.18	O=c1[nH]c2sccc2c(=O)n1O	Homo sapiens	CHEMBL832425	single protein format
CHEMBL182381		IC50	=	0.128	nM	258.23	Cc1ccc(-c2coc3c(=O)n(O)c(=O)[nH]c23)cc1	Homo sapiens	CHEMBL832425	single protein format
CHEMBL364591		IC50	=	0.136	nM	320.3	O=c1[nH]c2c(-c3ccc(-c4ccccc4)cc3)coc2c(=O)n1O	Homo sapiens	CHEMBL832425	single protein format
CHEMBL183792		IC50	=	0.145	nM	198.2	Cc1csc2[nH]c(=O)n(O)c(=O)c12	Homo sapiens	CHEMBL832425	single protein format
CHEMBL362842		IC50	=	0.157	nM	238.27	O=c1[nH]c2sc3c(c2c(=O)n1O)CCCC3	Homo sapiens	CHEMBL832425	single protein format
CHEMBL183852		IC50	=	0.16	nM	178.15	O=c1[nH]c2ccccc2c(=O)n1O	Homo sapiens	CHEMBL832425	single protein format
CHEMBL182687		IC50	=	0.185	nM	212.59	O=c1[nH]c2cccc(Cl)c2c(=O)n1O	Homo sapiens	CHEMBL832425	single protein format
CHEMBL183062		IC50	=	0.202	nM	260.27	O=c1[nH]c2cc(-c3ccccc3)sc2c(=O)n1O	Homo sapiens	CHEMBL832425	single protein format
CHEMBL185325		IC50	=	0.215	nM	274.23	COc1cccc(-c2coc3c(=O)n(O)c(=O)[nH]c23)c1	Homo sapiens	CHEMBL832425	single protein format
CHEMBL181962		IC50	=	0.226	nM	393.42	NC(=O)c1ccc(-c2cccc(Cn3c(=O)n(O)c(=O)c4sccc43)c2)cc1	Homo sapiens	CHEMBL832425	single protein format
CHEMBL359747		IC50	=	0.23	nM	274.23	COc1ccc(-c2coc3c(=O)n(O)c(=O)[nH]c23)cc1	Homo sapiens	CHEMBL832425	single protein format
CHEMBL181766		IC50	=	0.257	nM	218.17	O=c1[nH]c2c(oc3ccccc32)c(=O)n1O	Homo sapiens	CHEMBL832425	single protein format
CHEMBL360615		IC50	=	0.258	nM	240.28	CC(C)(C)c1cc2[nH]c(=O)n(O)c(=O)c2s1	Homo sapiens	CHEMBL832425	single protein format
CHEMBL183539		IC50	=	0.276	nM	244.21	O=c1[nH]c2c(-c3ccccc3)coc2c(=O)n1O	Homo sapiens	CHEMBL832425	single protein format
CHEMBL361546		IC50	=	0.292	nM	332.34	O=c1c2sccc2n(CC2COc3ccccc3O2)c(=O)n1O	Homo sapiens	CHEMBL832425	single protein format
CHEMBL180566		IC50	=	0.327	nM	323.1	O=c1[nH]c2c(-c3ccc(Br)cc3)coc2c(=O)n1O	Homo sapiens	CHEMBL832425	single protein format