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TargetTrypanothione reductase
LigandBDBM77970
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1463623
Ki 6500±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 Chem 23:996-1010 (2015) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Trypanothione reductase
Name:Trypanothione reductase
Synonyms:N(1),N(8)-bis(glutathionyl)spermidine reductase | TR
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:
BDBM77970
n/a
NameBDBM77970
Synonyms:3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-propan-1-amine;hydrochloride | 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine;hydrochloride | 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride | 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-dimethyl-amine;hydrochloride | CHLORIMIPRAMINE | CLOMIPRAMINE | CLOMIPRAMINE HYDROCHLORIDE | CLOMIPRIMINE | MLS000028511 | SMR000058295 | cid_68539
TypeSmall organic molecule
Emp. Form.C19H23ClN2
Mol. Mass.314.852
SMILESCN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12
Structure
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