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Target
Trypanothione reductase
Ligand
BDBM50185393
Substrate
n/a
Meas. Tech.
ChEMBL_360714 (CHEMBL869331)
IC50
2740±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:
BDBM50185393
Synonyms:
CHEMBL210371 | N-(2,2-diphenylethyl)-1-3-[3-({4-[(3-{N-[3-(2,2-diphenylethyl)carbamimidamidomethanimidoyl]amino}propyl)amino]butyl}amino)propyl]carbamimidamidomethanimidamide
Type:
Small organic molecule
Emp. Form.:
C42H58N12
Mol. Mass.:
730.9903
SMILES:
NC(NC(=N)NCC(c1ccccc1)c1ccccc1)=NCCCNCCCCNCCCN=C(N)NC(=N)NCC(c1ccccc1)c1ccccc1 |w:20.22,33.34|
Structure:
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