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Target
Trypanothione reductase
Ligand
BDBM50462235
Substrate
n/a
Meas. Tech.
ChEMBL_1774351 (CHEMBL4231343)
IC50
8800±n/a nM
Citation
 Jagu, E; Pomel, S; Diez-Martinez, A; Rascol, E; Pethe, S; Loiseau, PM; Labručre, R Synthesis and antikinetoplastid evaluation of bis(benzyl)spermidine derivatives. Eur J Med Chem 150:655-666 (2018) [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:
BDBM50462235
Synonyms:
CHEMBL4244566
Type:
Small organic molecule
Emp. Form.:
C21H31N3
Mol. Mass.:
325.4909
SMILES:
NCCCCNCCCN(Cc1ccccc1)Cc1ccccc1
Structure:
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