Reaction Details Report a problem with these data
Target
Purine nucleoside phosphorylase
Ligand
BDBM50046239
Substrate
n/a
Meas. Tech.
ChEMBL_153323 (CHEMBL873308)
Ki
15±n/a nM
Citation
 Montgomery, JA; Niwas, S; Rose, JD; Secrist, JA; Babu, YS; Bugg, CE; Erion, MD; Guida, WC; Ealick, SE Structure-based design of inhibitors of purine nucleoside phosphorylase. 1. 9-(arylmethyl) derivatives of 9-deazaguanine. J Med Chem 36:55-69 (1993) [PubMed]  Article 
Target
Name:
Purine nucleoside phosphorylase
Synonyms:
Inosine phosphorylase | NP | PNP | PNPH_BOVIN | Purine Nucleoside Phosphorylase (PNP) | Purine nucleoside phosphorylase
Type:
Enzyme
Mol. Mass.:
32035.18
Organism:
Bos taurus (bovine)
Description:
n/a
Residue:
289
Sequence:
MANGYTYEDYQDTAKWLLSHTEQRPQVAVICGSGLGGLVNKLTQAQTFDYSEIPNFPESTVPGHAGRLVFGILNGRACVMMQGRFHMYEGYPFWKVTFPVRVFRLLGVETLVVTNAAGGLNPNFEVGDIMLIRDHINLPGFSGENPLRGPNEERFGVRFPAMSDAYDRDMRQKAHSTWKQMGEQRELQEGTYVMLGGPNFETVAECRLLRNLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKVIMDYESQGKANHEEVLEAGKQAAQKLEQFVSLLMASIPVSGHTG
  
Inhibitor
Name:
BDBM50046239
Synonyms:
2-Amino-9-thiophen-3-ylmethyl-1,9-dihydro-purin-6-one | CHEMBL159640
Type:
Small organic molecule
Emp. Form.:
C11H12N4OS
Mol. Mass.:
248.304
SMILES:
Nc1nc2C(Cc3ccsc3)CNc2c(=O)[nH]1
Structure:
Search PDB for entries with ligand similarity: