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Target
Trypanothione reductase
Ligand
BDBM50335536
Substrate
n/a
Meas. Tech.
ChEMBL_710642 (CHEMBL1654419)
IC50
>100000±n/a nM
Citation
 Holloway, GA; Charman, WN; Fairlamb, AH; Brun, R; Kaiser, M; Kostewicz, E; Novello, PM; Parisot, JP; Richardson, J; Street, IP; Watson, KG; Baell, JB Trypanothione reductase high-throughput screening campaign identifies novel classes of inhibitors with antiparasitic activity. Antimicrob Agents Chemother 53:2824-33 (2009) [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:
BDBM50335536
Synonyms:
1-(1-benzylpiperidin-4-yl)-3-propylthiourea | CHEMBL1652418
Type:
Small organic molecule
Emp. Form.:
C16H25N3S
Mol. Mass.:
291.455
SMILES:
CCCNC(=S)NC1CCN(Cc2ccccc2)CC1
Structure:
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