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Target
Cytochrome P450 2A6
Ligand
BDBM50061117
Substrate
n/a
Meas. Tech.
ChEMBL_2184585 (CHEMBL5096667)
IC50
30400±n/a nM
Citation
 Sampson, PB Phytocannabinoid Pharmacology: Medicinal Properties of  J Nat Prod 84:142-160 (2021) [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:
BDBM50061117
Synonyms:
6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol | 6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol (Cannabinol) | 6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol(Cannabinol) | CANNABINOL | CBN | CHEMBL74415
Type:
Small organic molecule
Emp. Form.:
C21H26O2
Mol. Mass.:
310.4299
SMILES:
CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Structure:
Search PDB for entries with ligand similarity: