Reaction Details  Report a problem with these data
Target
Purine nucleoside phosphorylase
Ligand
BDBM50081804
Substrate
n/a
Meas. Tech.
ChEMBL_162175 (CHEMBL766695)
IC50
340±n/a nM
Citation
 Yokomatsu, T; Hayakawa, Y; Suemune, K; Kihara, T; Soeda, S; Shimeno, H; Shibuya, S Synthesis and biological evaluation of 1,1-difluoro-2-(tetrahydro-3-furanyl)ethylphosphonic acids possessing a N9-purinylmethyl functional group at the ring. a new class of inhibitors for purine nucleoside phosphorylases. Bioorg Med Chem Lett 9:2833-6 (1999) [PubMed]
Target
Name:
Purine nucleoside phosphorylase
Synonyms:
Inosine phosphorylase | Inosine-guanosine phosphorylase | NP | PNP | PNPH_HUMAN | Purine nucleoside phosphorylase (PNPase)
Type:
Enzyme
Mol. Mass.:
32119.53
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
289
Sequence:
MENGYTYEDYKNTAEWLLSHTKHRPQVAIICGSGLGGLTDKLTQAQIFDYGEIPNFPRSTVPGHAGRLVFGFLNGRACVMMQGRFHMYEGYPLWKVTFPVRVFHLLGVDTLVVTNAAGGLNPKFEVGDIMLIRDHINLPGFSGQNPLRGPNDERFGDRFPAMSDAYDRTMRQRALSTWKQMGEQRELQEGTYVMVAGPSFETVAECRVLQKLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKVIMDYESLEKANHEEVLAAGKQAAQKLEQFVSILMASIPLPDKAS
  
Inhibitor
Name:
BDBM50081804
Synonyms:
(Difluoro-{(1R,2S)-2-[2-(6-oxo-1,6-dihydro-purin-9-yl)-ethyl]-cyclopropyl}-methyl)-phosphonic acid | CHEMBL317966
Type:
Small organic molecule
Emp. Form.:
C11H13F2N4O4P
Mol. Mass.:
334.2159
SMILES:
OP(O)(=O)C(F)(F)[C@@H]1C[C@H]1CCn1cnc2c1nc[nH]c2=O
Structure:
Search PDB for entries with ligand similarity: