3D structures mapped by conservation among orthologs

[ Domain: "PRTase-like" // Pribosyltran ]

 PyMOL session

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 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
CHEMBL4282830		Ki	=	1.0	nM	481.3	O=C(CCP(=O)(O)O)N1C[C@@H](n2cnc3c(O)ncnc32)[C@H](OC[C@@H](O)P(=O)(O)O)C1	Homo sapiens	CHEMBL4268771	single protein format
CHEMBL5184028		Ki	=	1.3	nM	569.22	O=C(CCP(=O)([O-])[O-])N1CC(OC[C@@H](O)P(=O)([O-])[O-])[C@H](n2cnc3c(=O)[nH]cnc32)C1.[Na+].[Na+].[Na+].[Na+]	Homo sapiens	CHEMBL5159175	single protein format
CHEMBL4290716		Ki	=	3.0	nM	496.31	Nc1nc2c(ncn2[C@@H]2CN(C(=O)CCP(=O)(O)O)C[C@H]2OC[C@@H](O)P(=O)(O)O)c(=O)[nH]1	Homo sapiens	CHEMBL4268777	single protein format
CHEMBL4086362		Ki	=	6.0	nM	529.2	Nc1nc2c(ncn2CC(COCCP(=O)([O-])[O-])COCP(=O)([O-])[O-])c(=O)[nH]1.[Na+].[Na+].[Na+].[Na+]	Homo sapiens	CHEMBL4041378	single protein format
CHEMBL5207635		Ki	=	6.0	nM	545.2	Nc1nc2c(ncn2C[C@@H](COCCOP(=O)([O-])[O-])COCP(=O)([O-])[O-])c(=O)[nH]1.[Na+].[Na+].[Na+].[Na+]	Homo sapiens	CHEMBL5159175	single protein format
CHEMBL4277753		Ki	=	8.0	nM	496.31	Nc1nc2c(ncn2[C@@H]2CN(C(=O)CCP(=O)(O)O)C[C@H]2OC[C@H](O)P(=O)(O)O)c(=O)[nH]1	Homo sapiens	CHEMBL4268777	single protein format
CHEMBL4285691		Ki	=	8.0	nM	481.3	O=C(CCP(=O)(O)O)N1C[C@@H](n2cnc3c(O)ncnc32)[C@H](OC[C@H](O)P(=O)(O)O)C1	Homo sapiens	CHEMBL4268771	single protein format
CHEMBL3578115		Ki	=	10.0	nM	546.35	O=c1[nH]cnc2c1ncn2CCN(CCN(CCP(=O)(O)O)CCP(=O)(O)O)CCP(=O)(O)O	Homo sapiens	CHEMBL3579427	single protein format
CHEMBL5178774		Ki	=	20.0	nM	553.22	O=C(CCP(=O)([O-])[O-])N1CC(OCCP(=O)([O-])[O-])[C@H](n2cnc3c(=O)[nH]cnc32)C1.[Na+].[Na+].[Na+].[Na+]	Homo sapiens	CHEMBL5159175	single protein format
CHEMBL5198761		Ki	=	30.0	nM	515.18	Nc1nc2c(ncn2CC(COCP(=O)([O-])[O-])COCP(=O)([O-])[O-])c(=O)[nH]1.[Na+].[Na+].[Na+].[Na+]	Homo sapiens	CHEMBL5159175	single protein format
CHEMBL3578110		Ki	=	30.0	nM	497.39	Nc1nc2c(ncn2CCN(CCN(CCO)CCP(=O)(O)O)CCP(=O)(O)O)c(=O)[nH]1	Homo sapiens	CHEMBL3579427	single protein format
CHEMBL3578114		Ki	=	30.0	nM	561.37	Nc1nc2c(ncn2CCN(CCN(CCP(=O)(O)O)CCP(=O)(O)O)CCP(=O)(O)O)c(=O)[nH]1	Homo sapiens	CHEMBL3579427	single protein format
CHEMBL2325752		Ki	=	30.0	nM	427.25	Nc1nc2c(ncn2CC(COCP(=O)(O)O)COCP(=O)(O)O)c(=O)[nH]1	Homo sapiens	CHEMBL2329985	single protein format
CHEMBL4280490		Ki	=	30.0	nM	480.31	Nc1nc2c(ncn2[C@@H]2CN(C(=O)CCP(=O)(O)O)C[C@@H]2OCCP(=O)(O)O)c(=O)[nH]1	Homo sapiens	CHEMBL4268771	single protein format
CHEMBL3394315		Ki	=	30.0	nM	440.29	Nc1nc2c(ncn2CCN(CCP(=O)(O)O)COCCP(=O)(O)O)c(=O)[nH]1	Homo sapiens	CHEMBL3396536	single protein format
CHEMBL3578112		Ki	=	40.0	nM	511.41	Nc1nc2c(ncn2CCN(CCN(CCCO)CCP(=O)(O)O)CCP(=O)(O)O)c(=O)[nH]1	Homo sapiens	CHEMBL3579427	single protein format
CHEMBL3394327		Ki	=	40.0	nM	533.21	Nc1nc2c(nc(Br)n2CCN(CCOCCP(=O)(O)O)CCP(=O)(O)O)c(=O)[nH]1	Homo sapiens	CHEMBL3396536	single protein format
CHEMBL1233603		Ki	=	56.0	nM	361.25	Nc1nc2c([C@@H]3N[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c[nH]c2c(=O)[nH]1	Homo sapiens	CHEMBL4377151	single protein format
CHEMBL2153497		Ki	=	70.0	nM	346.28	Nc1nc2c(ncn2CCN(CCO)CCP(=O)(O)O)c(=O)[nH]1	Homo sapiens	CHEMBL2157773	single protein format
CHEMBL5185227		Ki	=	70.0	nM	531.17	Nc1nc2c(ncn2C[C@@H](COCP(=O)([O-])[O-])OC[C@@H](O)P(=O)([O-])[O-])c(=O)[nH]1.[Na+].[Na+].[Na+].[Na+]	Homo sapiens	CHEMBL5159175	single protein format