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Target
Trypanothione reductase
Ligand
BDBM50240625
Substrate
n/a
Meas. Tech.
ChEMBL_491413 (CHEMBL945376)
Ki
2000±n/a nM
Citation
 Galarreta, BC; Sifuentes, R; Carrillo, AK; Sanchez, L; Amado, Mdel R; Maruenda, H The use of natural product scaffolds as leads in the search for trypanothione reductase inhibitors. Bioorg Med Chem 16:6689-95 (2008) [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:
BDBM50240625
Synonyms:
4-(2,3,4,9-Tetrahydro-1H-beta-carbolin-1-yl)-benzonitrile | 4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)benzonitrile | CHEMBL78448
Type:
Small organic molecule
Emp. Form.:
C18H15N3
Mol. Mass.:
273.3318
SMILES:
N#Cc1ccc(cc1)C1NCCc2c1[nH]c1ccccc21
Structure:
Search PDB for entries with ligand similarity: