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Target
Trypanothione reductase
Ligand
BDBM50178805
Substrate
n/a
Meas. Tech.
ChEMBL_326412 (CHEMBL864476)
Ki
5300±n/a nM
Citation
 Parveen, S; Khan, MO; Austin, SE; Croft, SL; Yardley, V; Rock, P; Douglas, 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 Chem 48:8087-97 (2005) [PubMed]  Article 
Target
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:
MMSKIFDLVVIGAGSGGLEAAWNAATLYKKRVAVIDVQMVHGPPFFSALGGTCVNVGCVPKKLMVTGAQYMEHLRESAGFGWEFDRTTLRAEWKKLIAVKDEAVLNINKSYEEMFRDTEGLEFFLGWGSLESKNVVNVRESADPASAVKERLETENILLASGSWPHMPNIPGIEHCISSNEAFYLPEPPRRVLTVGGGFISVEFAGIFNAYKPKDGQVTLCYRGEMILRGFDHTLREELTKQLTANGIQILTKENPAKVELNADGSKSVTFESGKKMDFDLVMMAIGRSPRTKDLQLQNAGVMIKNGGVQVDEYSRTNVSNIYAIGDVTNRVMLTPVAINEAAALVDTVFGTNPRKTDHTRVASAVFSIPPIGTCGLIEEVASKRYEVVAVYLSSFTPLMHNISGSKYKTFVAKIITNHSDGTVLGVHLLGDNAPEIIQGVGICLKLNAKISDFYNTIGVHPTSAEELCSMRTPSYYYVKGEKMEKPSEASL
  
Inhibitor
Name:
BDBM50178805
Synonyms:
CHEMBL436292 | N-benzhydryl-3-(5-chloro-2-(phenylthio)phenylamino)-N,N-dimethylpropan-1-aminium
Type:
Small organic molecule
Emp. Form.:
C30H32ClN2S
Mol. Mass.:
488.106
SMILES:
C[N+](C)(CCCNc1cc(Cl)ccc1Sc1ccccc1)C(c1ccccc1)c1ccccc1
Structure:
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