Reaction Details  Report a problem with these data
Target
Trypanothione reductase
Ligand
BDBM50615395
Substrate
n/a
Meas. Tech.
ChEMBL_2302232
Ki
15900±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:
BDBM50615395
Synonyms:
CHEMBL5280891
Type:
Small organic molecule
Emp. Form.:
C40H60Br2N8O8
Mol. Mass.:
940.761
SMILES:
CCCNCCCNC(=O)CNC(=O)[C@H](CC(Br)C(Br)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)NCCCNCCC)NC(=O)OCc1ccccc1 |r|
Structure:
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