Reaction Details Report a problem with these data
Target
Trypanothione reductase
Ligand
BDBM50096499
Substrate
n/a
Meas. Tech.
ChEBML_225789
Ki
14100±n/a nM
Citation
 Li, Z; Fennie, MW; Ganem, B; Hancock, MT; Kobaslija, M; Rattendi, D; Bacchi, CJ; O'Sullivan, MC Polyamines with N-(3-phenylpropyl) substituents are effective competitive inhibitors of trypanothione reductase and trypanocidal agents. Bioorg Med Chem Lett 11:251-4 (2001) [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:
BDBM50096499
Synonyms:
CHEMBL85964 | N*1*-(3-Amino-propyl)-N*1*-(3-phenyl-propyl)-butane-1,4-diamine | N1-(3-aminopropyl)-N1-(3-phenylpropyl)butane-1,4-diamine
Type:
Small organic molecule
Emp. Form.:
C16H29N3
Mol. Mass.:
263.4216
SMILES:
NCCCCN(CCCN)CCCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: