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TargetTrypanothione reductase
LigandBDBM50178807
Substrate/Competitorn/a
Meas. Tech.ChEMBL_326412 (CHEMBL864476)
Ki 1690±n/a nM
Citation Parveen, SKhan, MOAustin, SECroft, SLYardley, VRock, PDouglas, KT Antitrypanosomal, antileishmanial, and antimalarial activities of quaternary arylalkylammonium 2-amino-4-chlorophenyl phenyl sulfides, a new class of trypanothione reductase inhibitor, and of N-acyl derivatives of 2-amino-4-chlorophenyl phenyl sulfide. J Med Chem48:8087-97 (2005) [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:
BDBM50178807
n/a
NameBDBM50178807
Synonyms:3,4-dichloro-N-(3-(5-chloro-2-(phenylthio)phenylamino)propyl)-N,N-dimethylbenzenaminium | CHEMBL382522
TypeSmall organic molecule
Emp. Form.C23H24Cl3N2S
Mol. Mass.466.874
SMILESC[N+](C)(CCCNc1cc(Cl)ccc1Sc1ccccc1)c1ccc(Cl)c(Cl)c1
Structure
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