Reaction Details Report a problem with these data
Target
Trypanothione reductase
Ligand
BDBM50062260
Substrate
n/a
Meas. Tech.
ChEMBL_211973 (CHEMBL817703)
Ki
18700±n/a nM
Citation
 Chan, C; Yin, H; Garforth, J; McKie, JH; Jaouhari, R; Speers, P; Douglas, KT; Rock, PJ; Yardley, V; Croft, SL; Fairlamb, AH Phenothiazine inhibitors of trypanothione reductase as potential antitrypanosomal and antileishmanial drugs. J Med Chem 41:148-56 (1998) [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:
BDBM50062260
Synonyms:
CHEMBL38403 | [3-(2-Chloro-phenothiazin-10-yl)-propyl]-propyl-diazene
Type:
Small organic molecule
Emp. Form.:
C18H20ClN3S
Mol. Mass.:
345.89
SMILES:
CCCN=NCCCN1c2ccccc2Sc2ccc(Cl)cc12 |w:3.2|
Structure:
Search PDB for entries with ligand similarity: