Reaction Details Report a problem with these data
Target
Trypanothione reductase
Ligand
BDBM50096501
Substrate
n/a
Meas. Tech.
ChEBML_225789
Ki
4670±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:
BDBM50096501
Synonyms:
CHEMBL85198 | N*1*-(3-Phenyl-propyl)-N*1*-[3-(3-phenyl-propylamino)-propyl]-butane-1,4-diamine; compound with N-(3-amino-propyl)-N,N'-bis-(3-phenyl-propyl)-butane-1,4-diamine
Type:
Small organic molecule
Emp. Form.:
C25H39N3
Mol. Mass.:
381.5973
SMILES:
NCCCCN(CCCNCCCc1ccccc1)CCCc1ccccc1
Structure:
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