Reaction Details Report a problem with these data
Target
Trypanothione reductase
Ligand
BDBM50185392
Substrate
n/a
Meas. Tech.
ChEMBL_360714 (CHEMBL869331)
IC50
17680±n/a nM
Citation
 Bi, X; Lopez, C; Bacchi, CJ; Rattendi, D; Woster, PM Novel alkylpolyaminoguanidines and alkylpolyaminobiguanides with potent antitrypanosomal activity. Bioorg Med Chem Lett 16:3229-32 (2006) [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:
BDBM50185392
Synonyms:
1-cycloheptyl-3-{3-[(7-{[3-(3-cycloheptylcarbamimidamido)propyl]amino}heptyl)amino]propyl}guanidine | CHEMBL206916
Type:
Small organic molecule
Emp. Form.:
C29H60N8
Mol. Mass.:
520.8403
SMILES:
NC(NC1CCCCCC1)=NCCCNCCCCCCCNCCCN=C(N)NC1CCCCCC1 |w:10.11,26.26|
Structure:
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