Reaction Details  Report a problem with these data
Target
Trypanothione reductase
Ligand
BDBM50615397
Substrate
n/a
Meas. Tech.
ChEMBL_2302232
Ki
>100000±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_TRYCR
Type:
Homodimer; oxidoreductase
Mol. Mass.:
53868.26
Organism:
Trypanosoma cruzi
Description:
n/a
Residue:
492
Sequence:
MMSKIFDLVVIGAGSGGLEAAWNAATLYKKRVAVIDVQMVHGPPFFSALGGTCVNVGCVPKKLMVTGAQYMEHLRESAGFGWEFDRTTLRAEWKKLIAVKDEAVLNINKSYEEMFRDTEGLEFFLGWGSLESKNVVNVRESADPASAVKERLETENILLASGSWPHMPNIPGIEHCISSNEAFYLPEPPRRVLTVGGGFISVEFAGIFNAYKPKDGQVTLCYRGEMILRGFDHTLREELTKQLTANGIQILTKENPAKVELNADGSKSVTFESGKKMDFDLVMMAIGRSPRTKDLQLQNAGVMIKNGGVQVDEYSRTNVSNIYAIGDVTNRVMLTPVAINEAAALVDTVFGTNPRKTDHTRVASAVFSIPPIGTCGLIEEVASKRYEVVAVYLSSFTPLMHNISGSKYKTFVAKIITNHSDGTVLGVHLLGDNAPEIIQGVGICLKLNAKISDFYNTIGVHPTSAEELCSMRTPSYYYVKGEKMEKPSEASL
  
Inhibitor
Name:
BDBM50615397
Synonyms:
CHEMBL210576
Type:
Small organic molecule
Emp. Form.:
C14H25N3
Mol. Mass.:
235.3684
SMILES:
NCCCCN(CCCN)Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: