Reaction Details Report a problem with these data
Target
Trypanothione reductase
Ligand
BDBM50093208
Substrate
n/a
Meas. Tech.
ChEBML_211803
Ki
76±n/a nM
Citation
 Chitkul, B; Bradley, M Optimising inhibitors of trypanothione reductase using solid-phase chemistry. Bioorg Med Chem Lett 10:2367-9 (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:
BDBM50093208
Synonyms:
2-(5-Bromo-1H-indol-3-yl)-N-[3-(4-{3-[2-(5-bromo-1H-indol-3-yl)-acetylamino]-propylamino}-butylamino)-propyl]-acetamide | CHEMBL76694
Type:
Small organic molecule
Emp. Form.:
C30H38Br2N6O2
Mol. Mass.:
674.47
SMILES:
Brc1ccc2[nH]cc(CC(=O)NCCCNCCCCNCCCNC(=O)Cc3c[nH]c4ccc(Br)cc34)c2c1
Structure:
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