Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50589703
Substrate
n/a
Meas. Tech.
ChEMBL_2194171 (CHEMBL5106531)
IC50
>10000±n/a nM
Citation
 Foot, JS; Buson, A; Deodhar, M; Findlay, AD; Robertson, AD; Turner, CI; Yow, T; Zhou, W; Jarolimek, W Combining monoamine oxidase B and semicarbazide-sensitive amine oxidase enzyme inhibition to address inflammatory disease. Bioorg Med Chem Lett 74:0 (2022) [PubMed] 
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:
BDBM50589703
Synonyms:
CHEMBL5196906
Type:
Small organic molecule
Emp. Form.:
C11H13ClFNO
Mol. Mass.:
229.678
SMILES:
Cl.NC\C(=C/F)[C@H]1Cc2ccccc2O1 |r|
Structure:
Search PDB for entries with ligand similarity: