Reaction Details Report a problem with these data
Target
Trypanothione reductase
Ligand
BDBM50278487
Substrate
n/a
Meas. Tech.
ChEMBL_1720239 (CHEMBL4135239)
Ki
2300±n/a nM
Citation
 Uliassi, E; Fiorani, G; Krauth-Siegel, RL; Bergamini, C; Fato, R; Bianchini, G; Carlos Menéndez, J; Molina, MT; López-Montero, E; Falchi, F; Cavalli, A; Gul, S; Kuzikov, M; Ellinger, B; Witt, G; Moraes, CB; Freitas-Junior, LH; Borsari, C; Costi, MP; Bolognesi, ML Crassiflorone derivatives that inhibit Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase (TbGAPDH) and Trypanosoma cruzi trypanothione reductase (TcTR) and display trypanocidal activity. Eur J Med Chem 141:138-148 (2017) [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:
BDBM50278487
Synonyms:
CHEMBL3585376
Type:
Small organic molecule
Emp. Form.:
C27H21NO6
Mol. Mass.:
455.4587
SMILES:
CN(C)CCOc1cc2ccc(OC3=CC(=O)c4cc5ccccc5cc4C3=O)cc2oc1=O |t:13|
Structure:
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