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Target
Cytochrome P450 2A6
Ligand
BDBM50613946
Substrate
n/a
Meas. Tech.
ChEMBL_2294776
Ki
30±n/a nM
Citation
 Yamaguchi, Y; Nishizono, N; Kobayashi, D; Yoshimura, T; Wada, K; Kobayashi, K; Oda, K Synthesis and biological evaluation of coumarin derivatives as selective CYP2A6 inhibitors. Bioorg Med Chem Lett 86:0 (2023) [PubMed] 
Target
Name:
Cytochrome P450 2A6
Synonyms:
1,4-cineole 2-exo-monooxygenase | 1.14.13.- | CP2A6_HUMAN | CYP2A3 | CYP2A6 | CYPIIA6 | Coumarin 7-hydroxylase | Cytochrome P450 2A6 | Cytochrome P450 IIA3 | Cytochrome P450(I)
Type:
Protein
Mol. Mass.:
56514.34
Organism:
Homo sapiens (Human)
Description:
P11509
Residue:
494
Sequence:
MLASGMLLVALLVCLTVMVLMSVWQQRKSKGKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIHLGPRRVVVLCGHDAVREALVDQAEEFSGRGEQATFDWVFKGYGVVFSNGERAKQLRRFSIATLRDFGVGKRGIEERIQEEAGFLIDALRGTGGANIDPTFFLSRTVSNVISSIVFGDRFDYKDKEFLSLLRMMLGIFQFTSTSTGQLYEMFSSVMKHLPGPQQQAFQLLQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFLIRMQEEEKNPNTEFYLKNLVMTTLNLFIGGTETVSTTLRYGFLLLMKHPEVEAKVHEEIDRVIGKNRQPKFEDRAKMPYMEAVIHEIQRFGDVIPMSLARRVKKDTKFRDFFLPKGTEVYPMLGSVLRDPSFFSNPQDFNPQHFLNEKGQFKKSDAFVPFSIGKRNCFGEGLARMELFLFFTTVMQNFRLKSSQSPKDIDVSPKHVGFATIPRNYTMSFLPR
  
Inhibitor
Name:
BDBM50613946
Synonyms:
5-Allyloxycoumarin | CHEMBL450963
Type:
Small organic molecule
Emp. Form.:
C12H10O3
Mol. Mass.:
202.206
SMILES:
C=CCOc1cccc2oc(=O)ccc12
Structure:
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