Reaction Details Report a problem with these data
Target
Trypanothione reductase
Ligand
BDBM50096496
Substrate
n/a
Meas. Tech.
ChEMBL_2302156
Ki
3000±n/a nM
Citation
 Jagu, E; Pomel, S; Pethe, S; Loiseau, PM; Labručre, R Polyamine-based analogs and conjugates as antikinetoplastid agents. Eur J Med Chem 139:982-1015 (2017) [PubMed] 
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:
BDBM50096496
Synonyms:
CHEMBL62048 | N,N'-Bis-(3-amino-propyl)-N,N'-bis-(3-phenyl-propyl)-butane-1,4-diamine | N1,N4-bis(3-aminopropyl)-N1,N4-bis(3-phenylpropyl)butane-1,4-diamine
Type:
Small organic molecule
Emp. Form.:
C28H46N4
Mol. Mass.:
438.6916
SMILES:
NCCCN(CCCCN(CCCN)CCCc1ccccc1)CCCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: