Reaction Details Report a problem with these data
Target
Alternative oxidase, mitochondrial
Ligand
BDBM50464457
Substrate
n/a
Meas. Tech.
ChEMBL_1780580 (CHEMBL4252097)
IC50
1995±n/a nM
Citation
 West, RA; O'Doherty, OG; Askwith, T; Atack, J; Beswick, P; Laverick, J; Paradowski, M; Pennicott, LE; Rao, SPS; Williams, G; Ward, SE African trypanosomiasis: Synthesis & SAR enabling novel drug discovery of ubiquinol mimics for trypanosome alternative oxidase. Eur J Med Chem 141:676-689 (2017) [PubMed]  Article 
Target
Name:
Alternative oxidase, mitochondrial
Synonyms:
1.-.-.- | AOX | AOX_TRYBB | Alternative oxidase, mitochondrial
Type:
PROTEIN
Mol. Mass.:
37603.97
Organism:
Trypanosoma brucei brucei
Description:
ChEMBL_117839
Residue:
329
Sequence:
MFRNHASRITAAAAPWVLRTACRQKSDAKTPVWGHTQLNRLSFLETVPVVPLRVSDESSEDRPTWSLPDIENVAITHKKPNGLVDTLAYRSVRTCRWLFDTFSLYRFGSITESKVISRCLFLETVAGVPGMVGGMLRHLSSLRYMTRDKGWINTLLVEAENERMHLMTFIELRQPGLPLRVSIIITQAIMYLFLLVAYVISPRFVHRFVGYLEEEAVITYTGVMRAIDEGRLRPTKNDVPEVARVYWNLSKNATFRDLINVIRADEAEHRVVNHTFADMHEKRLQNSVNPFVVLKKNPEEMYSNQPSGKTRTDFGSEGAKTASNVNKHV
  
Inhibitor
Name:
BDBM50464457
Synonyms:
CHEMBL4283459
Type:
Small organic molecule
Emp. Form.:
C20H27ClO3
Mol. Mass.:
350.88
SMILES:
[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6])c(-[#6])c(Cl)c1-[#8]-[#6](-[#6])=O
Structure:
Search PDB for entries with ligand similarity: