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Target
Trypanothione reductase
Ligand
BDBM50096010
Substrate
n/a
Meas. Tech.
ChEMBL_210045 (CHEMBL812446)
IC50
5000±n/a nM
Citation
 Salmon-Chemin, L; Buisine, E; Yardley, V; Kohler, S; Debreu, MA; Landry, V; Sergheraert, C; Croft, SL; Krauth-Siegel, RL; Davioud-Charvet, E 2- and 3-substituted 1,4-naphthoquinone derivatives as subversive substrates of trypanothione reductase and lipoamide dehydrogenase from Trypanosoma cruzi: synthesis and correlation between redox cycling activities and in vitro cytotoxicity. J Med Chem 44:548-65 (2001) [PubMed]  Article 
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:
BDBM50096010
Synonyms:
3-(3-Methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-N-(3-{3-[3-(3-methyl-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-propionylamino]-propylamino}-propyl)-propionamide | CHEMBL155143
Type:
Small organic molecule
Emp. Form.:
C34H37N3O6
Mol. Mass.:
583.6741
SMILES:
Cc1c(O)c2ccccc2c(O)c1C=CC(=O)NCCCNCCCNC(=O)C=Cc1c(C)c(O)c2ccccc2c1O |w:29.31,14.16|
Structure:
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