Reaction Details Report a problem with these data
Target
Purine nucleoside phosphorylase
Ligand
BDBM50293091
Substrate
n/a
Meas. Tech.
ChEMBL_519471 (CHEMBL951777)
Ki
0.009±n/a nM
Citation
Clinch, K; Evans, GB; Fröhlich, RF; Furneaux, RH; Kelly, PM; Legentil, L; Murkin, AS; Li, L; Schramm, VL; Tyler, PC; Woolhouse, AD Third-generation immucillins: syntheses and bioactivities of acyclic immucillin inhibitors of human purine nucleoside phosphorylase. J Med Chem 52:1126-43 (2009) [PubMed] Article
More Info.:
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:
Human
Description:
n/a
Residue:
289
Sequence:
MENGYTYEDYKNTAEWLLSHTKHRPQVAIICGSGLGGLTDKLTQAQIFDYGEIPNFPRSTVPGHAGRLVFGFLNGRACVMMQGRFHMYEGYPLWKVTFPVRVFHLLGVDTLVVTNAAGGLNPKFEVGDIMLIRDHINLPGFSGQNPLRGPNDERFGDRFPAMSDAYDRTMRQRALSTWKQMGEQRELQEGTYVMVAGPSFETVAECRVLQKLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKVIMDYESLEKANHEEVLAAGKQAAQKLEQFVSILMASIPLPDKAS
Inhibitor
Name:
BDBM50293091
Synonyms:
7-({[(1R,2S)-2,3-DIHYDROXY-1-(HYDROXYMETHYL)PROPYL]AMINO}METHYL)-3,5-DIHYDRO-4H-PYRROLO[3,2-D]PYRIMIDIN-4-ONE | 7-({[(2R,3S)-1,3,4-Trihydroxybutan-2-yl]amino}methyl)-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one | CHEMBL475537
Type:
Small organic molecule
Emp. Form.:
C11H16N4O4
Mol. Mass.:
268.2691
SMILES:
OC[C@@H](O)[C@@H](CO)NCc1c[nH]c2c1nc[nH]c2=O |r|