Reaction Details Report a problem with these data
Target
Trypanothione reductase
Ligand
BDBM50615394
Substrate
n/a
Meas. Tech.
ChEMBL_2302232
Ki
2000±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:
BDBM50615394
Synonyms:
CHEMBL5266592
Type:
Small organic molecule
Emp. Form.:
C54H70N8O8
Mol. Mass.:
959.1824
SMILES:
CCCNCCCNC(=O)CNC(=O)[C@H](CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)NCC(=O)NCCCNCCC)NC(=O)OCC1c2ccccc2-c2ccccc12 |r|
Structure:
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