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Target
Trypanothione reductase
Ligand
BDBM50335551
Substrate
n/a
Meas. Tech.
ChEMBL_710644 (CHEMBL1654421)
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:
BDBM50335551
Synonyms:
1-(4,6,8-trimethylquinazolin-2-yl)guanidine | CHEMBL1652427
Type:
Small organic molecule
Emp. Form.:
C12H15N5
Mol. Mass.:
229.281
SMILES:
[#6]-c1cc(-[#6])c2nc(\[#7]=[#6](\[#7])-[#7])nc(-[#6])c2c1
Structure:
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