Reaction Details  Report a problem with these data
Target
Purine nucleoside phosphorylase
Ligand
BDBM50039549
Substrate
n/a
Meas. Tech.
ChEBML_162037
Ki
5±n/a nM
Citation
 Erion, MD; Niwas, S; Rose, JD; Ananthan, S; Allen, M; Secrist, JA; Babu, YS; Bugg, CE; Guida, WC; Ealick, SE Structure-based design of inhibitors of purine nucleoside phosphorylase. 3. 9-Arylmethyl derivatives of 9-deazaguanine substituted on the methylene group. J Med Chem 36:3771-83 (1994) [PubMed]
Target
Name:
Purine nucleoside phosphorylase
Synonyms:
Np | PNPH_MOUSE | Pnp | Pnp1
Type:
PROTEIN
Mol. Mass.:
32274.71
Organism:
Mus musculus
Description:
ChEMBL_162040
Residue:
289
Sequence:
MENEFTYEDYETTAKWLLQHTEYRPQVAVICGSGLGGLTAHLKEAQIFDYNEIPNFPQSTVQGHAGRLVFGLLNGRCCVMMQGRFHMYEGYSLSKVTFPVRVFHLLGVETLVVTNAAGGLNPNFEVGDIMLIRDHINLPGFCGQNPLRGPNDERFGVRFPAMSDAYDRDMRQKAFTAWKQMGEQRKLQEGTYVMLAGPNFETVAESRLLKMLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKVVMDYENLEKANHMEVLDAGKAAAQTLERFVSILMESIPLPDRGS
  
Inhibitor
Name:
BDBM50039549
Synonyms:
3-(2-Amino-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-(3-chloro-phenyl)-propionitrile | CHEMBL81839
Type:
Small organic molecule
Emp. Form.:
C15H12ClN5O
Mol. Mass.:
313.742
SMILES:
Nc1nc2c(c[nH]c2c(=O)[nH]1)C(CC#N)c1cccc(Cl)c1
Structure:
Search PDB for entries with ligand similarity: