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Target
Trypanothione reductase
Ligand
BDBM50185399
Substrate
n/a
Meas. Tech.
ChEMBL_360714 (CHEMBL869331)
IC50
4720±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:
BDBM50185399
Synonyms:
CHEMBL208290 | N-(2,2-diphenyl-ethyl)-N'-[3-(7-{3-[N'-(2,2-diphenyl-ethyl)-guanidino]-propylamino}-heptylamino)-propyl]-guanidine
Type:
Small organic molecule
Emp. Form.:
C43H60N8
Mol. Mass.:
688.9901
SMILES:
NC(NCC(c1ccccc1)c1ccccc1)=NCCCNCCCCCCCNCCCN=C(N)NCC(c1ccccc1)c1ccccc1 |w:17.19,33.34|
Structure:
Search PDB for entries with ligand similarity: