Reaction Details Report a problem with these data
Target
Alternative oxidase, mitochondrial
Ligand
BDBM50459778
Substrate
n/a
Meas. Tech.
ChEMBL_1780579 (CHEMBL4252096)
Ki
0.130000±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:
BDBM50459778
Synonyms:
Ascofuranone | US11565996, Compound Ascochlorin
Type:
Small organic molecule
Emp. Form.:
C23H29ClO5
Mol. Mass.:
420.926
SMILES:
[H][C@]1(CC(=O)C(C)(C)O1)C(\C)=C\CC\C(C)=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O |r|
Structure:
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