Reaction Details Report a problem with these data
Target
Trypanothione reductase
Ligand
BDBM50096491
Substrate
n/a
Meas. Tech.
ChEBML_225789
Ki
1380±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:
BDBM50096491
Synonyms:
CHEMBL85189 | N-(3-Amino-propyl)-N,N'-bis-(3-phenyl-propyl)-N'-[3-(3-phenyl-propylamino)-propyl]-butane-1,4-diamine | N1-(3-aminopropyl)-N1,N4-bis(3-phenylpropyl)-N4-(3-(3-phenylpropylamino)propyl)butane-1,4-diamine
Type:
Small organic molecule
Emp. Form.:
C37H56N4
Mol. Mass.:
556.8673
SMILES:
NCCCN(CCCCN(CCCNCCCc1ccccc1)CCCc1ccccc1)CCCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: