Reaction Details Report a problem with these data
Target
Trypanothione reductase
Ligand
BDBM50070270
Substrate
n/a
Meas. Tech.
ChEMBL_2302201
IC50
550±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:
BDBM50070270
Synonyms:
CHEMBL279374 | Pentanedioic acid bis-[(3-{4-bromo-2-[3-(4-methyl-piperazin-1-yl)-propionylamino]-phenylsulfanyl}-phenyl)-amide]
Type:
Small organic molecule
Emp. Form.:
C45H54Br2N8O4S2
Mol. Mass.:
994.899
SMILES:
CN1CCN(CCC(=O)Nc2cc(Br)ccc2Sc2cccc(NC(=O)CCCC(=O)Nc3cccc(Sc4ccc(Br)cc4NC(=O)CCN4CCN(C)CC4)c3)c2)CC1
Structure:
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