Reaction Details Report a problem with these data
Target
Trypanothione reductase
Ligand
BDBM50093207
Substrate
n/a
Meas. Tech.
ChEBML_211803
Ki
1390±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:
BDBM50093207
Synonyms:
(E)-3-(3,4-Dihydroxy-phenyl)-N-[3-(4-{3-[(E)-3-(3,4-dihydroxy-phenyl)-acryloylamino]-propylamino}-butylamino)-propyl]-acrylamide | CHEMBL76994
Type:
Small organic molecule
Emp. Form.:
C28H38N4O6
Mol. Mass.:
526.6245
SMILES:
Oc1ccc(\C=C\C(=O)NCCCNCCCCNCCCNC(=O)\C=C\c2ccc(O)c(O)c2)cc1O
Structure:
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