3D structures mapped by conservation among orthologs

[ Domain: "Nucleoside phosphorylase/phosphoribosyltransferase-N" // Glycos_trans_3N ]

 PyMOL session

[ Domain: "Pyrimidine nucleoside phosphorylase C-terminal domain" // PYNP_C ]

 PyMOL session

[ Domain: "Nucleoside phosphorylase/phosphoribosyltransferase catalytic domain" // Glycos_transf_3 ]

 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
CHEMBL65986		IC50	=	1.9	nM	322.55	Nc1[nH]cc[n+]1Cc1[nH]c(=O)[nH]c(=O)c1Br.[Cl-]	Homo sapiens	CHEMBL811739	single protein format
CHEMBL122679		IC50	=	19.0	nM	287.1	Nc1[nH]cc[n+]1Cc1[nH]c(=O)[nH]c(=O)c1Br	Homo sapiens	CHEMBL813681	single protein format
CHEMBL65375		IC50	=	20.0	nM	279.13	Cl.N=C1CCCN1Cc1[nH]c(=O)[nH]c(=O)c1Cl	Homo sapiens	CHEMBL811739	single protein format
CHEMBL4129617		IC50	=	20.0	nM	324.57	Br.N=C1NCCN1Cc1[nH]c(=O)[nH]c(=O)c1Cl	Homo sapiens	CHEMBL4124406	single protein format
CHEMBL66531		IC50	=	21.0	nM	278.1	Nc1[nH]cc[n+]1Cc1nc(O)nc(O)c1Cl.[Cl-]	Homo sapiens	CHEMBL811739	single protein format
CHEMBL235668		IC50	=	35.0	nM	242.67	N=C1CCCN1Cc1[nH]c(=O)[nH]c(=O)c1Cl	Homo sapiens	CHEMBL878638	single protein format
CHEMBL64909		IC50	=	35.0	nM	206.0	Nc1[nH]c(=O)[nH]c(=O)c1Br	Homo sapiens	CHEMBL4423629	single protein format
CHEMBL193667		IC50	=	49.0	nM	242.65	Nc1[nH]cc[n+]1Cc1nc(O)nc(O)c1Cl	Homo sapiens	CHEMBL832607	single protein format
CHEMBL194335		IC50	=	100.0	nM	208.2	Nc1[nH]cc[n+]1Cc1cc(O)nc(O)n1	Homo sapiens	CHEMBL832607	single protein format
CHEMBL4293861		IC50	=	120.0	nM	314.13	Cc1cc(=O)[nH]c(=O)n1/C(=N\O)c1ccc(Cl)c(Cl)c1	Homo sapiens	CHEMBL4253665	single protein format
CHEMBL4455140		IC50	=	120.0	nM	341.11	O=c1[nH]c(CNC(CO)CO)c(I)c(=O)[nH]1	Homo sapiens	CHEMBL4423541	cell-based format
CHEMBL3087264		IC50	=	350.0	nM	271.13	Cl.N=C(N)SCc1[nH]c(=O)[nH]c(=O)c1Cl	Homo sapiens	CHEMBL3088705	single protein format
CHEMBL303346		IC50	=	560.0	nM	243.65	Nc1[nH]cc[n+]1Cc1cc(O)nc(O)n1.[Cl-]	Homo sapiens	CHEMBL811739	single protein format
CHEMBL4469338		IC50	=	1000.0	nM	249.65	O=c1[nH]c(CNC(CO)CO)c(Cl)c(=O)[nH]1	Homo sapiens	CHEMBL4423541	cell-based format
CHEMBL235668		Ki	=	5.0	nM	242.67	N=C1CCCN1Cc1[nH]c(=O)[nH]c(=O)c1Cl	Homo sapiens	CHEMBL814426	single protein format
CHEMBL1080896		Ki	=	17.0	nM	225.18	Nc1nccn1Cc1[nH]c(=O)[nH]c(=O)c1F	Homo sapiens	CHEMBL1100898	single protein format
CHEMBL65375		Ki	=	20.0	nM	279.13	Cl.N=C1CCCN1Cc1[nH]c(=O)[nH]c(=O)c1Cl	Homo sapiens	CHEMBL827151	single protein format
CHEMBL234998		Ki	=	200.0	nM	212.64	O=c1[nH]c(Cl)c(C2=CCCC2)c(=O)[nH]1	Homo sapiens	CHEMBL901716	cell-based format
CHEMBL374140		Ki	=	236.0	nM	364.25	Cc1cn([C@@H]2O[C@H](CO)[C@H]3O[C@@H](CP(=O)(O)O)O[C@H]32)c(=O)[nH]c1=O	Homo sapiens	CHEMBL856524	single protein format
CHEMBL401998		Ki	=	236.0	nM	264.17	Cc1cn(CCOCP(=O)(O)O)c(=O)[nH]c1=O	Homo sapiens	CHEMBL1066239	single protein format