Reaction Details Report a problem with these data
Target
Trypanothione reductase
Ligand
BDBM34731
Substrate
n/a
Meas. Tech.
ChEMBL_446787 (CHEMBL897086)
IC50
1700±n/a nM
Citation
Martyn, DC; Jones, DC; Fairlamb, AH; Clardy, J High-throughput screening affords novel and selective trypanothione reductase inhibitors with anti-trypanosomal activity. Bioorg Med Chem Lett 17:1280-3 (2007) [PubMed] Article
More Info.:
Target
Name:
Trypanothione reductase
Synonyms:
N(1),N(8)-bis(glutathionyl)spermidine reductase | TPR | TR | TYTR_TRYBB | Trypanothione Reductase (TryR)
Type:
Homodimer; oxidoreductase
Mol. Mass.:
53285.53
Organism:
Trypanosoma brucei brucei
Description:
n/a
Residue:
492
Sequence:
MSKIFDLVVIGAGSGGLEAGWNAATLYKKRVAVIDVQTHHGPPHYAALGGTCVNVGCVPKKLMVTGAQYMDHLRESAGFGWEFDGSSVKANWKKLIAAKNEAVLDINKSYEGMFNDTEGLDFFLGWGSLESKNVVVVRETADPKSAVKERLQADHILLATGSWPQMPAIPGVEHCISSNEAFYLPEPPRRVLTVGGGFISVEFAGIFNAYKPPGGKVTLCYRNNLILRGFDETIREEVTKQLTANGIEIMTNENPAKVSLNTDGSKHVTFESGKTLDVDVVMMAIGRIPRTNDLQLGNVGVKLTPKGGVQVDEFSRTNVPNIYAIGDITDRLMLTPVAINEGAALVDTVFGNKPRKTDHTRVASAVFSIPPIGTCGLIEEVAAKEFEKVAVYMSSFTPLMHNISGSKYKKFVAKIVTNHSDGTVLGVHLLGDGAPEIIQAVGVCLRLNAKISDFYNTIGVHPTSAEELCSMRTPSYYYLKGEKMETLPESSL
Inhibitor
Name:
BDBM34731
Synonyms:
1-(3-nitrophenyl)-3-phenylazanyl-propan-1-one | 3-anilino-1-(3-nitrophenyl)-1-propanone | 3-anilino-1-(3-nitrophenyl)propan-1-one | CHEMBL233347 | MLS000571277 | SMR000193644 | cid_877450
Type:
Small organic molecule
Emp. Form.:
C15H14N2O3
Mol. Mass.:
270.2833
SMILES:
[O-][N+](=O)c1cccc(c1)C(=O)CCNc1ccccc1