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TargetTrypanothione reductase
LigandBDBM50103370
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1463623 (CHEMBL3398941)
Ki 27900±n/a nM
Citation O'Sullivan, MCDurham, TBValdes, HEDauer, KLKarney, NJForrestel, ACBacchi, CJBaker, 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
More Info.:Get all data from this article,  Assay Method
 
Trypanothione reductase
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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  Blast E-value cutoff:
BDBM50103370
n/a
NameBDBM50103370
Synonyms:CHEMBL3398187
TypeSmall organic molecule
Emp. Form.C18H24N4
Mol. Mass.296.41
SMILESNCCN(CCN)C1c2ccccc2CCc2cccnc12
Structure
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