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Reaction Details
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TargetPteridine reductase
LigandBDBM31798
Substrate/CompetitorBDBM31792
Meas. Tech.PTR1 Activity Assay
pH6±n/a
Temperature296.15±n/a K
Ki 400±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
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  Blast E-value cutoff:
BDBM31798
BDBM31792
NameBDBM31798
Synonyms:2-aminobenzimidazole deriv., 9
TypeSmall organic molecule
Emp. Form.C14H11Cl2N3
Mol. Mass.292.163
SMILESNc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1
Structure
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