Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50061117
Substrate
n/a
Meas. Tech.
ChEMBL_1684878 (CHEMBL4035357)
Ki
79±n/a nM
Citation
 Dutour, R; Poirier, D Inhibitors of cytochrome P450 (CYP) 1B1. Eur J Med Chem 135:296-306 (2017) [PubMed]  Article 
Target
Name:
Cytochrome P450 1A2
Synonyms:
CP1A2_HUMAN | CYP1A2 | CYPIA2 | Cholesterol 25-hydroxylase | Cytochrome P(3)450 | Cytochrome P450 1A | Cytochrome P450 1A2 (CYP1A2) | Cytochrome P450 4 | Cytochrome P450-P3
Type:
Enzyme
Mol. Mass.:
58423.38
Organism:
Homo sapiens (Human)
Description:
P05177
Residue:
516
Sequence:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDGQSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELMAGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFPILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGNLIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLSDRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPELWEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLEFSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
  
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:
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