Target
Pteridine reductase
Ligand
BDBM31799
Substrate
BDBM31792
Meas. Tech.
PTR1 Activity Assay
pH
6±n/a
Temperature
296.15±n/a K
Ki
510±n/a nM
Citation
 Mpamhanga, CPSpinks, DTulloch, LBShanks, EJRobinson, DACollie, ITFairlamb, AHWyatt, PGFrearson, JAHunter, WNGilbert, IHBrenk, R One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening. J Med Chem 52:4454-65 (2009) [PubMed]  Article 
Target
Name:
Pteridine reductase
Synonyms:
Pteridine Reductase 1 (PTR1) | TbPTR1
Type:
Oxidoreductase
Mol. Mass.:
28470.17
Organism:
Trypanosoma brucei brucei
Description:
n/a
Residue:
268
Sequence:
MEAPAAVVTGAAKRIGRAIAVKLHQTGYRVVIHYHNSAEAAVSLADELNKERSNTAVVCQADLTNSNVLPASCEEIINSCFRAFGRCDVLVNNASAFYPTPLVQGDHEDNSNGKTVETQVAELIGTNAIAPFLLTMSFAQRQKGTNPNCTSSNLSIVNLCDAMVDQPCMAFSLYNMGKHALVGLTQSAALELAPYGIRVNGVAPGVSLLPVAMGEEEKDKWRRKVPLGRREASAEQIADAVIFLVSGSAQYITGSIIKVDGGLSLVHA
  
Inhibitor
Name:
BDBM31799
Synonyms:
2-aminobenzimidazole deriv., 10
Type:
Small organic molecule
Emp. Form.:
C14H10Cl3N3
Mol. Mass.:
326.608
SMILES:
Nc1nc2cccc(Cl)c2n1Cc1ccc(Cl)c(Cl)c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM31792
Synonyms:
7,8-dihydrobiopterin | Dihydrobiopterin (H2B) | biopterin
Type:
n/a
Emp. Form.:
C9H13N5O3
Mol. Mass.:
239.2312
SMILES:
CC(O)C(=O)C1CNc2nc(N)[nH]c(=O)c2N1
Structure:
Search PDB for entries with ligand similarity: