3D structures mapped by conservation among orthologs

[ Domain: "dUTPase-like" // dUTPase ]

 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
CHEMBL2057911		IC50	=	21.0	nM	455.51	C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1	Homo sapiens	CHEMBL2060493	single protein format
CHEMBL2147981		IC50	=	26.0	nM	457.5	CC(C)(CC/C=C/Cn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OCC(F)F)c1	Homo sapiens	CHEMBL2150114	assay format
CHEMBL2147979		IC50	=	28.0	nM	447.56	CC(C)(CC/C=C/Cn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OCC2CC2)c1	Homo sapiens	CHEMBL2150114	assay format
CHEMBL2163854		IC50	=	29.0	nM	437.54	CC[C@@H](Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1	Homo sapiens	CHEMBL2169084	single protein format
CHEMBL3664406		IC50	=	30.0	nM	469.54	CC[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1	Homo sapiens	CHEMBL3705334	single protein format
CHEMBL3664420		IC50	=	30.0	nM	523.61	O=c1ccn(COCCCS(=O)(=O)N[C@@H](c2ccc(F)c(OCC3CC3)c2)c2cccs2)c(=O)[nH]1	Homo sapiens	CHEMBL3705334	single protein format
CHEMBL3664416		IC50	=	30.0	nM	469.54	CCC(NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1	Homo sapiens	CHEMBL3705334	single protein format
CHEMBL2147976		IC50	=	31.0	nM	483.59	CC(C)(NS(=O)(=O)c1cccc(OC2CCCC2)c1)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1	Homo sapiens	CHEMBL2150114	assay format
CHEMBL2147980		IC50	=	33.0	nM	461.58	CC(C)(CC/C=C/Cn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OC2CCCC2)c1	Homo sapiens	CHEMBL2150114	assay format
CHEMBL2057599		IC50	=	35.0	nM	451.55	CC(C)(CCCOCn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OCC2CC2)c1	Homo sapiens	CHEMBL2060493	single protein format
CHEMBL2147985		IC50	=	39.0	nM	433.53	C[C@@H](NS(=O)(=O)CC/C=C/Cn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1	Homo sapiens	CHEMBL2150114	assay format
CHEMBL3664423		IC50	=	40.0	nM	465.57	CC[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1	Homo sapiens	CHEMBL3705334	single protein format
CHEMBL3659896		IC50	=	40.0	nM	483.56	CC(C)[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1	Homo sapiens	CHEMBL3705334	single protein format
CHEMBL3664407		IC50	=	40.0	nM	469.54	C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OC2CCCC2)c1	Homo sapiens	CHEMBL3705334	single protein format
CHEMBL3664464		IC50	=	40.0	nM	451.52	C[C@@H](NS(=O)(=O)CC/C=C/Cn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1	Homo sapiens	CHEMBL3705334	single protein format
CHEMBL2057909		IC50	=	40.0	nM	437.52	C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1	Homo sapiens	CHEMBL2060493	single protein format
CHEMBL3664409		IC50	=	40.0	nM	451.55	CC[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1	Homo sapiens	CHEMBL3705334	single protein format
CHEMBL2147986		IC50	=	41.0	nM	447.56	C[C@@H](NS(=O)(=O)CC/C=C/Cn1ccc(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1	Homo sapiens	CHEMBL2150114	assay format
CHEMBL2163852		IC50	=	58.0	nM	423.52	C[C@@H](Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1	Homo sapiens	CHEMBL2169084	single protein format
CHEMBL3659894		IC50	=	60.0	nM	451.55	C[C@@H](NS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1	Homo sapiens	CHEMBL3705334	single protein format