Reaction Details |
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Target | Pteridine reductase |
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Ligand | BDBM31801 |
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Substrate/Competitor | BDBM31792 |
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Meas. Tech. | PTR1 Activity Assay |
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pH | 6±n/a |
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Temperature | 296.15±n/a K |
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Ki | 7±n/a nM |
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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 Chem52:4454-65 (2009) [PubMed] Article |
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More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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Pteridine reductase |
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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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BDBM31801 |
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BDBM31792 |
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Name | BDBM31801 |
Synonyms: | 2-aminobenzimidazole deriv., 12 |
Type | Small organic molecule |
Emp. Form. | C20H15Cl2N3 |
Mol. Mass. | 368.259 |
SMILES | Nc1nc2cccc(-c3ccccc3)c2n1Cc1ccc(Cl)c(Cl)c1 |
Structure |
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