Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetPteridine reductase
LigandBDBM31794
Substrate/CompetitorBDBM31792
Meas. Tech.PTR1 Activity Assay
pH6±n/a
Temperature296.15±n/a K
Ki 10600±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 Chem52:4454-65 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
Pteridine reductase
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:
MEAPAAVVTGAAKRIGRAIAVKLHQTGYRVVIHYHNSAEAAVSLADELNKERSNTAVVCQ
ADLTNSNVLPASCEEIINSCFRAFGRCDVLVNNASAFYPTPLVQGDHEDNSNGKTVETQV
AELIGTNAIAPFLLTMSFAQRQKGTNPNCTSSNLSIVNLCDAMVDQPCMAFSLYNMGKHA
LVGLTQSAALELAPYGIRVNGVAPGVSLLPVAMGEEEKDKWRRKVPLGRREASAEQIADA
VIFLVSGSAQYITGSIIKVDGGLSLVHA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM31794
BDBM31792
NameBDBM31794
Synonyms:2-aminobenzimidazole deriv., 4 | 5-Chloro-1H-benzoimidazol-2-ylamine | 5-chloro-1H-benzo[d]imidazol-2-amine | 6-chloro-1H-benzimidazol-2-amine | 6-chloro-1H-benzo[d]imidazol-2-amine | CHEMBL269158
TypeSmall organic molecule
Emp. Form.C7H6ClN3
Mol. Mass.167.596
SMILESNc1nc2ccc(Cl)cc2[nH]1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: