Reaction Details Report a problem with these data
Target
Purine nucleoside phosphorylase
Ligand
BDBM50280447
Substrate
n/a
Meas. Tech.
ChEMBL_162026 (CHEMBL770307)
Ki
0.800000±n/a nM
Citation
 Halazy, S; Eggenspiller, A; Ehrhard, A; Danzin, C Phosphonate derivatives of N9-benzylguanine: a new class of potent purine nucleoside phosphorylase inhibitors Bioorg Med Chem Lett 2:407-410 (1992)    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:
BDBM50280447
Synonyms:
(E)-2-{2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methyl]phenyl}vinylphosphonate
Type:
Small organic molecule
Emp. Form.:
C14H12N5O4P
Mol. Mass.:
345.251
SMILES:
Nc1nc2n(Cc3ccccc3C=CP([O-])([O-])=O)cnc2c(=O)[nH]1 |w:13.14|
Structure:
Search PDB for entries with ligand similarity: