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Target
Trypanothione reductase
Ligand
BDBM50178807
Substrate
n/a
Meas. Tech.
ChEMBL_491413 (CHEMBL945376)
Ki
1700±n/a nM
Citation
 Galarreta, BC; Sifuentes, R; Carrillo, AK; Sanchez, L; Amado, Mdel R; Maruenda, H The use of natural product scaffolds as leads in the search for trypanothione reductase inhibitors. Bioorg Med Chem 16:6689-95 (2008) [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:
BDBM50178807
Synonyms:
3,4-dichloro-N-(3-(5-chloro-2-(phenylthio)phenylamino)propyl)-N,N-dimethylbenzenaminium | CHEMBL382522
Type:
Small organic molecule
Emp. Form.:
C23H24Cl3N2S
Mol. Mass.:
466.874
SMILES:
C[N+](C)(CCCNc1cc(Cl)ccc1Sc1ccccc1)c1ccc(Cl)c(Cl)c1
Structure:
Search PDB for entries with ligand similarity: