Reaction Details  Report a problem with these data
Target
Trypanothione reductase
Ligand
BDBM8987
Substrate
n/a
Meas. Tech.
ChEMBL_211976 (CHEMBL878025)
Ki
80000±n/a nM
Citation
 Bonse, S; Santelli-Rouvier, C; Barbe, J; Krauth-Siegel, RL Inhibition of Trypanosoma cruzi trypanothione reductase by acridines: kinetic studies and structure-activity relationships. J Med Chem 42:5448-54 (2000) [PubMed]
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:
BDBM8987
Synonyms:
6-chloro-1,2,3,4-tetrahydroacridin-9-amine | 6-chlorotacrine | 6-chlorotacrine.HCl | CHEMBL486698 | Tacrine Analogue 4
Type:
Small organic molecule
Emp. Form.:
C13H13ClN2
Mol. Mass.:
232.709
SMILES:
Nc1c2CCCCc2nc2cc(Cl)ccc12
Structure:
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