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Target
Cytochrome P450 1A2
Ligand
BDBM168191
Substrate
n/a
Meas. Tech.
ChEMBL_2020185 (CHEMBL4673998)
IC50
>10000±n/a nM
Citation
 Meegalla, SK; Huang, H; Martin, T; Xu, J; Zhao, S; Liu, J; Hall, M; Gunnet, J; Wang, Y; Rady, B; Silva, J; Otieno, M; Arnoult, E; Paul Lee, S; Pocai, A; Player, MR Discovery of a novel potent GPR40 full agonist. Bioorg Med Chem Lett 28:720-726 (2018) [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:
BDBM168191
Synonyms:
US9688642, 2
Type:
Small organic molecule
Emp. Form.:
C27H30FN3O4
Mol. Mass.:
479.5432
SMILES:
COc1cc(c(F)cn1)-c1ncc(COc2cccc(c2)[C@@H](CC(O)=O)C2CC2)nc1CC(C)C |r|
Structure:
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