Reaction Details Report a problem with these data
Target
Pteridine reductase
Ligand
BDBM7960
Substrate
BDBM31792
Meas. Tech.
PTR1 Activity Assay
pH
6±n/a
Temperature
296.15±n/a K
Ki
288000±n/a nM
Citation
 Mpamhanga, CP; Spinks, D; Tulloch, LB; Shanks, EJ; Robinson, DA; Collie, IT; Fairlamb, AH; Wyatt, PG; Frearson, JA; Hunter, WN; Gilbert, IH; Brenk, 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:
BDBM7960
Synonyms:
1H-1,3-benzodiazol-2-amine | 2-Aminobenzimidazole | CHEMBL305513 | CRA Fragment 9 | Imidazole C-2 deriv. 3 | JMC524454 Compound 5 | US11584714, Compound 46
Type:
Small organic molecule
Emp. Form.:
C7H7N3
Mol. Mass.:
133.1506
SMILES:
Nc1nc2ccccc2[nH]1
Structure:
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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:
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