Reaction Details |
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Target | Trypanothione reductase |
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Ligand | BDBM50103370 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1463623 (CHEMBL3398941) |
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Ki | 27900±n/a nM |
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Citation | O'Sullivan, MC; Durham, TB; Valdes, HE; Dauer, KL; Karney, NJ; Forrestel, AC; Bacchi, CJ; Baker, JF Dibenzosuberyl substituted polyamines and analogs of clomipramine as effective inhibitors of trypanothione reductase; molecular docking, and assessment of trypanocidal activities. Bioorg Med Chem23:996-1010 (2015) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Trypanothione reductase |
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Name: | Trypanothione reductase |
Synonyms: | N(1),N(8)-bis(glutathionyl)spermidine reductase | TPR | TR | TYTR_TRYCR |
Type: | Homodimer; oxidoreductase |
Mol. Mass.: | 53868.26 |
Organism: | Trypanosoma cruzi |
Description: | n/a |
Residue: | 492 |
Sequence: | MMSKIFDLVVIGAGSGGLEAAWNAATLYKKRVAVIDVQMVHGPPFFSALGGTCVNVGCVP
KKLMVTGAQYMEHLRESAGFGWEFDRTTLRAEWKKLIAVKDEAVLNINKSYEEMFRDTEG
LEFFLGWGSLESKNVVNVRESADPASAVKERLETENILLASGSWPHMPNIPGIEHCISSN
EAFYLPEPPRRVLTVGGGFISVEFAGIFNAYKPKDGQVTLCYRGEMILRGFDHTLREELT
KQLTANGIQILTKENPAKVELNADGSKSVTFESGKKMDFDLVMMAIGRSPRTKDLQLQNA
GVMIKNGGVQVDEYSRTNVSNIYAIGDVTNRVMLTPVAINEAAALVDTVFGTNPRKTDHT
RVASAVFSIPPIGTCGLIEEVASKRYEVVAVYLSSFTPLMHNISGSKYKTFVAKIITNHS
DGTVLGVHLLGDNAPEIIQGVGICLKLNAKISDFYNTIGVHPTSAEELCSMRTPSYYYVK
GEKMEKPSEASL
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BDBM50103370 |
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n/a |
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Name | BDBM50103370 |
Synonyms: | CHEMBL3398187 |
Type | Small organic molecule |
Emp. Form. | C18H24N4 |
Mol. Mass. | 296.41 |
SMILES | NCCN(CCN)C1c2ccccc2CCc2cccnc12 |
Structure |
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