3D structures mapped by conservation among orthologs

[ Domain: "Poly(ADP-ribose) glycohydrolase helical domain" // PARG_cat_N ]

 PyMOL session

[ Domain: "Macro domain-like" // PARG_cat_C ]

 PyMOL session

[ 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
CHEMBL4459166		IC50	=	70.0	nM	486.57	[2H]C([2H])([2H])C1(NS(=O)(=O)c2ccc3c(c2)c(=O)n(Cc2cnn(C)c2)c(=O)n3Cc2ccn(C)n2)CC1	Homo sapiens	CHEMBL4333012	cell-based format
CHEMBL4438105		IC50	=	80.0	nM	435.48	CCn1c(=O)n(Cc2cnn(C)c2)c(=O)c2cc(S(=O)(=O)NC3(CF)CC3)ccc21	Homo sapiens	CHEMBL4333012	cell-based format
CHEMBL4282082		IC50	=	80.0	nM	417.49	CCn1c(=O)n(Cc2cnn(C)c2)c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc21	Homo sapiens	CHEMBL4333012	cell-based format
CHEMBL4518815		IC50	=	90.0	nM	483.55	Cn1cc(Cn2c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc3n(Cc3ccn(C)n3)c2=O)cn1	Homo sapiens	CHEMBL4333012	cell-based format
CHEMBL1230692		IC50	=	120.0	nM	542.34	Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2NC[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL1814966	single protein format
CHEMBL4459798		IC50	=	170.0	nM	501.54	Cn1cc(Cn2c(=O)c3cc(S(=O)(=O)NC4(CF)CC4)ccc3n(Cc3ccn(C)n3)c2=O)cn1	Homo sapiens	CHEMBL4333012	cell-based format
CHEMBL4452307		IC50	=	290.0	nM	421.45	Cn1cc(Cn2c(=O)c3cc(S(=O)(=O)NC4(CF)CC4)ccc3n(C)c2=O)cn1	Homo sapiens	CHEMBL4333012	cell-based format
CHEMBL4456850		IC50	=	320.0	nM	519.53	Cn1cc(Cn2c(=O)c3cc(S(=O)(=O)NC4(C(F)F)CC4)ccc3n(Cc3ccn(C)n3)c2=O)cn1	Homo sapiens	CHEMBL4333011	cell-based format
CHEMBL4283111		IC50	=	330.0	nM	403.46	Cn1cc(Cn2c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc3n(C)c2=O)cn1	Homo sapiens	CHEMBL4333012	cell-based format