Target
Trypanothione reductase
Ligand
BDBM50178802
Substrate
n/a
Meas. Tech.
ChEMBL_326412 (CHEMBL864476)
Ki
6500±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 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:
BDBM50178802
Synonyms:
4-tert-butyl-N-(3-(5-chloro-2-(phenylthio)phenylamino)propyl)-N,N-dimethylbenzenaminium | CHEMBL371878
Type:
Small organic molecule
Emp. Form.:
C27H34ClN2S
Mol. Mass.:
454.09
SMILES:
CC(C)(C)c1ccc(cc1)[N+](C)(C)CCCNc1cc(Cl)ccc1Sc1ccccc1
Structure:
Search PDB for entries with ligand similarity: