Reaction Details Report a problem with these data
Target
Trypanothione reductase
Ligand
BDBM50096500
Substrate
n/a
Meas. Tech.
ChEBML_225789
Ki
614±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:
BDBM50096500
Synonyms:
CHEMBL86281 | N,N'-Bis-(3-phenyl-propyl)-N,N'-bis-[3-(3-phenyl-propylamino)-propyl]-butane-1,4-diamine | N1,N4-bis(3-phenylpropyl)-N1,N4-bis(3-(3-phenylpropylamino)propyl)butane-1,4-diamine
Type:
Small organic molecule
Emp. Form.:
C46H66N4
Mol. Mass.:
675.043
SMILES:
C(CCN(CCCNCCCc1ccccc1)CCCc1ccccc1)CN(CCCNCCCc1ccccc1)CCCc1ccccc1
Structure:
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