Reaction Details Report a problem with these data
Target
Trypanothione reductase
Ligand
BDBM50485931
Substrate
n/a
Meas. Tech.
ChEMBL_878321 (CHEMBL2185949)
Ki
2800±n/a nM
Citation
 Lizzi, F; Veronesi, G; Belluti, F; Bergamini, C; López-Sánchez, A; Kaiser, M; Brun, R; Krauth-Siegel, RL; Hall, DG; Rivas, L; Bolognesi, ML Conjugation of quinones with natural polyamines: toward an expanded antitrypanosomatid profile. J Med Chem 55:10490-500 (2012) [PubMed]  Article 
Target
Name:
Trypanothione reductase
Synonyms:
N(1),N(8)-bis(glutathionyl)spermidine reductase | TPR | TR | TYTR_TRYBB | Trypanothione Reductase (TryR)
Type:
Homodimer; oxidoreductase
Mol. Mass.:
53285.53
Organism:
Trypanosoma brucei brucei
Description:
n/a
Residue:
492
Sequence:
MSKIFDLVVIGAGSGGLEAGWNAATLYKKRVAVIDVQTHHGPPHYAALGGTCVNVGCVPKKLMVTGAQYMDHLRESAGFGWEFDGSSVKANWKKLIAAKNEAVLDINKSYEGMFNDTEGLDFFLGWGSLESKNVVVVRETADPKSAVKERLQADHILLATGSWPQMPAIPGVEHCISSNEAFYLPEPPRRVLTVGGGFISVEFAGIFNAYKPPGGKVTLCYRNNLILRGFDETIREEVTKQLTANGIEIMTNENPAKVSLNTDGSKHVTFESGKTLDVDVVMMAIGRIPRTNDLQLGNVGVKLTPKGGVQVDEFSRTNVPNIYAIGDITDRLMLTPVAINEGAALVDTVFGNKPRKTDHTRVASAVFSIPPIGTCGLIEEVAAKEFEKVAVYMSSFTPLMHNISGSKYKKFVAKIVTNHSDGTVLGVHLLGDGAPEIIQAVGVCLRLNAKISDFYNTIGVHPTSAEELCSMRTPSYYYLKGEKMETLPESSL
  
Inhibitor
Name:
BDBM50485931
Synonyms:
CHEMBL2178999
Type:
Small organic molecule
Emp. Form.:
C24H25F3N2O5
Mol. Mass.:
478.4609
SMILES:
OC(=O)C(F)(F)F.NCCCCCNCc1ccc(OC2=CC(=O)c3ccccc3C2=O)cc1 |t:19|
Structure:
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