3D structures mapped by conservation among orthologs

[ Domain: "Arginase/deacetylase" // Hist_deacetyl ]

 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
CHEMBL5270048		IC50	=	-50000.0	nM	238.29	OC1(c2ccccc2)C=C(c2ccccc2)CO1	Homo sapiens	CHEMBL5253339	single protein format
CHEMBL469274		IC50	<	0.002	nM	446.5	CC(C)(C)OC(=O)Nc1cccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)c1	Homo sapiens	CHEMBL976443	single protein format
CHEMBL4862152		IC50	=	0.08	nM	586.78	CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC1CC1)CC2)c1ncc(-c2cc3ccc(C)nc3cc2OC)o1	Homo sapiens	CHEMBL4828009	cell-based format
CHEMBL4641682		IC50	=	0.087	nM	453.52	CN1CC(C(=O)N[C@@H](CCCCCC(=O)c2ccon2)c2ncc(-c3ccccc3F)[nH]2)C1	Homo sapiens	CHEMBL4731925	cell-based format
CHEMBL4649205		IC50	=	0.093	nM	571.77	CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC1CC1)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1	Homo sapiens	CHEMBL4623363	single protein format
CHEMBL4861467		IC50	=	0.1	nM	571.77	CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC1CC1)CC2)c1ncc(-c2cc3cccnc3cc2OC)[nH]1	Homo sapiens	CHEMBL4828009	cell-based format
CHEMBL4644038		IC50	=	0.18	nM	559.76	CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C(C)C)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1	Homo sapiens	CHEMBL4623363	single protein format
CHEMBL4642518		IC50	=	0.19	nM	531.7	CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1	Homo sapiens	CHEMBL4623363	single protein format
CHEMBL4780309		IC50	=	0.2	nM	539.72	CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2ccc3[nH]c4ccccc4c3c2)[nH]1	Homo sapiens	CHEMBL4689535	single protein format
CHEMBL4753452		IC50	<	0.2	nM	529.13	CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc(Cl)ccc2OC)[nH]1	Homo sapiens	CHEMBL4689538	single protein format
CHEMBL4792257		IC50	<	0.2	nM	508.71	CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc(C)ccc2OC)[nH]1	Homo sapiens	CHEMBL4689538	single protein format
CHEMBL4780974		IC50	<	0.2	nM	511.71	CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(C2=CCC(C)N=C2OC)[nH]1	Homo sapiens	CHEMBL4689538	single protein format
CHEMBL4759693		IC50	=	0.2	nM	540.71	CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1[nH]c(-c2ccc3nc(C)ccc3c2)nc1C#N	Homo sapiens	CHEMBL4669388	single protein format
CHEMBL4742026		IC50	=	0.2	nM	503.69	CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C)CC2)c1ncc(-c2cn(C)c3ccccc23)[nH]1	Homo sapiens	CHEMBL4689535	single protein format
CHEMBL4753460		IC50	=	0.2	nM	536.76	CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc(C(C)C)ccc2OC)[nH]1	Homo sapiens	CHEMBL4689538	single protein format
CHEMBL5093099		IC50	=	0.28	nM	381.43	CCCNNC(=O)c1ccc(CNC(=O)c2cc3cc(OC)ccc3o2)cc1	Homo sapiens	CHEMBL5043885	single protein format
CHEMBL4638264		IC50	=	0.28	nM	559.76	CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CCC12CCN(CC)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1	Homo sapiens	CHEMBL4623363	single protein format
CHEMBL4597954		IC50	=	0.28	nM	390.53	CCCNNC(=O)/C=C/c1ccc(CNCCc2c(C)[nH]c3ccccc23)cc1	Homo sapiens	CHEMBL5043885	single protein format
CHEMBL5219825		IC50	<	0.3	nM	585.79	CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(C1CCC1)CC2)c1ncc(-c2cc3ccc(C)nc3cc2OC)[nH]1	Homo sapiens	CHEMBL5215551	cell-based format
CHEMBL5220969		IC50	<	0.3	nM	575.75	CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC)CC2)c1ncc(-c2cc3ccc(=O)n(C)c3cc2OC)[nH]1	Homo sapiens	CHEMBL5215551	cell-based format