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Target
Purine nucleoside phosphorylase
Ligand
BDBM50041094
Substrate
n/a
Meas. Tech.
ChEMBL_162032 (CHEMBL770312)
IC50
260000±n/a nM
Citation
 Guida, WC; Elliott, RD; Thomas, HJ; Secrist, JA; Babu, YS; Bugg, CE; Erion, MD; Ealick, SE; Montgomery, JA Structure-based design of inhibitors of purine nucleoside phosphorylase. 4. A study of phosphate mimics. J Med Chem 37:1109-14 (1994) [PubMed]  Article 
Target
Name:
Purine nucleoside phosphorylase
Synonyms:
Inosine phosphorylase | Np | PNPH_RAT | Pnp | Purine nucleoside phosphorylase | Purine-nucleoside phosphorylase | nucleoside phosphorylase
Type:
PROTEIN
Mol. Mass.:
32303.61
Organism:
Rattus norvegicus
Description:
ChEMBL_162034
Residue:
289
Sequence:
MENEFTYEDYQRTAEWLRSHTKHRPQVAVICGSGLGGLTAKLTQPQAFDYNEIPNFPQSTVQGHAGRLVFGFLNGRSCVMMQGRFHMYEGYSLSKVTFPVRVFHLLGVDTLVVTNAAGGLNPKFEVGDIMLIRDHINLPGFCGQNPLRGPNDERFGVRFPAMSDAYDRDMRQKAFNAWKQMGEQRELQEGTYIMSAGPTFETVAESCLLRMLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKVVMDYNNLEKASHQEVLEAGKAAAQKLEQFVSILMESIPPRERAN
  
Inhibitor
Name:
BDBM50041094
Synonyms:
6-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-4,4-dimethyl-hexanenitrile | CHEMBL13115
Type:
Small organic molecule
Emp. Form.:
C13H18N6O
Mol. Mass.:
274.3216
SMILES:
CC(C)(CCC#N)CCn1cnc2c1nc(N)[nH]c2=O
Structure:
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