Reaction Details Report a problem with these data
Target
Trypanothione reductase
Ligand
BDBM79181
Substrate
n/a
Meas. Tech.
ChEMBL_211973 (CHEMBL817703)
Ki
23000±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:
BDBM79181
Synonyms:
10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride | 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride | 10-[3-(4-methylpiperazino)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride | MLS001146870 | SMR000059133 | TRIFLUOPERAZINE | TRIFLUOPERAZINE DIHYDROCHLORIDE | Trifluperazine | US11542290, Compound Trifluoperazine | cid_2913535 | cid_5566
Type:
Small organic molecule
Emp. Form.:
C21H24F3N3S
Mol. Mass.:
407.496
SMILES:
CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Structure:
Search PDB for entries with ligand similarity: