Reaction Details Report a problem with these data
Target
Pteridine reductase
Ligand
BDBM31798
Substrate
BDBM31792
Meas. Tech.
PTR1 Activity Assay
pH
6±n/a
Temperature
296.15±n/a K
Ki
400±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:
BDBM31798
Synonyms:
2-aminobenzimidazole deriv., 9
Type:
Small organic molecule
Emp. Form.:
C14H11Cl2N3
Mol. Mass.:
292.163
SMILES:
Nc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1