3D structures mapped by conservation among orthologs

[ Domain: "Peptidyl-tRNA hydrolase-like" // PNP_UDP_1 ]

 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
CHEMBL349855		IC50	=	0.03	nM	246.29	Nc1nc(O)c2c(n1)CC(Cc1cccs1)=N2	Homo sapiens	CHEMBL760477	tissue-based format
CHEMBL349024		IC50	=	0.057	nM	230.23	Nc1nc(O)c2c(n1)CC(Cc1ccco1)=N2	Homo sapiens	CHEMBL760477	tissue-based format
CHEMBL159271		IC50	=	0.067	nM	246.29	Nc1nc(O)c2c(n1)CC(Cc1ccsc1)=N2	Homo sapiens	CHEMBL760477	tissue-based format
CHEMBL422712		IC50	=	0.085	nM	262.3	Nc1nc(O)c2[nH]c(NCc3ccsc3)nc2n1	Homo sapiens	CHEMBL760477	tissue-based format
CHEMBL159747		IC50	=	0.085	nM	240.27	Nc1nc(O)c2c(n1)CC(Cc1ccccc1)=N2	Homo sapiens	CHEMBL760477	tissue-based format
CHEMBL351228		IC50	=	0.16	nM	262.3	Nc1nc(O)c2[nH]c(NCc3cccs3)nc2n1	Homo sapiens	CHEMBL760477	tissue-based format
CHEMBL351219		IC50	=	0.25	nM	246.23	Nc1nc(O)c2[nH]c(NCc3ccco3)nc2n1	Homo sapiens	CHEMBL760477	tissue-based format
CHEMBL350429		IC50	=	0.47	nM	256.27	Nc1nc(O)c2[nH]c(NCc3ccccc3)nc2n1	Homo sapiens	CHEMBL760477	tissue-based format
CHEMBL159316		IC50	=	0.63	nM	261.31	Nc1nc(O)c2c(n1)CC(NCc1ccsc1)=N2	Homo sapiens	CHEMBL760477	tissue-based format
CHEMBL159515		IC50	=	0.75	nM	245.24	Nc1nc(O)c2c(n1)CC(NCc1ccco1)=N2	Homo sapiens	CHEMBL760477	tissue-based format
CHEMBL345473		IC50	=	0.85	nM	255.28	Nc1nc(O)c2c(n1)CC(NCc1ccccc1)=N2	Homo sapiens	CHEMBL760477	tissue-based format
CHEMBL5282677		IC50	=	0.9	nM	280.28	O=c1[nH]cnc2cc(C[C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)[nH]c12	Homo sapiens	CHEMBL5232760	single protein format
CHEMBL5273669		IC50	=	0.9	nM	250.26	O=c1[nH]cnc2c([C@H]3C[C@H](O)[C@@H](CO)N3)c[nH]c12	Homo sapiens	CHEMBL5232760	single protein format
CHEMBL159514		IC50	=	1.0	nM	261.31	Nc1nc(O)c2c(n1)CC(NCc1cccs1)=N2	Homo sapiens	CHEMBL760477	tissue-based format
CHEMBL5280395		IC50	=	1.9	nM	279.26	NC(=O)[C@H]1N[C@@H](c2c[nH]c3c(=O)[nH]cnc23)[C@H](O)[C@@H]1O	Homo sapiens	CHEMBL5232760	single protein format
CHEMBL385263		IC50	=	2.0	nM	279.3	Nc1nc(O)c2[nH]cc(CN3C[C@H](O)C[C@H]3CO)c2n1	Homo sapiens	CHEMBL908314	single protein format
CHEMBL218291		IC50	=	3.5	nM	266.26	O=c1[nH]cnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12	Homo sapiens	CHEMBL908314	single protein format
CHEMBL1161895		IC50	=	4.0	nM	323.35	CC(=O)O.Nc1nc(O)c2[nH]cc(CN3CCC[C@H]3CO)c2n1	Homo sapiens	CHEMBL908314	single protein format
CHEMBL348923		IC50	=	4.05	nM	275.34	Cc1ccsc1CNC1=Nc2c(O)nc(N)nc2C1	Homo sapiens	CHEMBL760477	tissue-based format
CHEMBL350773		IC50	=	4.05	nM	276.33	Cc1ccsc1CNc1nc2[nH]c(N)nc(O)c-2n1	Homo sapiens	CHEMBL760477	tissue-based format