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Target
Cytochrome P450 1A2
Ligand
BDBM50064444
Substrate
n/a
Meas. Tech.
ChEMBL_1464927 (CHEMBL3404397)
IC50
>20000±n/a nM
Citation
 Martín-Martín, ML; Bartolomé-Nebreda, JM; Conde-Ceide, S; Alonso de Diego, SA; López, S; Martínez-Viturro, CM; Tong, HM; Lavreysen, H; Macdonald, GJ; Steckler, T; Mackie, C; Bridges, TM; Daniels, JS; Niswender, CM; Noetzel, MJ; Jones, CK; Conn, PJ; Lindsley, CW; Stauffer, SR Discovery and SAR of novel series of imidazopyrimidinones and dihydroimidazopyrimidinones as positive allosteric modulators of the metabotropic glutamate receptor 5 (mGlu5). Bioorg Med Chem Lett 25:1310-7 (2015) [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:
BDBM50064444
Synonyms:
CHEMBL3401195
Type:
Small organic molecule
Emp. Form.:
C19H16FN3O2
Mol. Mass.:
337.3476
SMILES:
Fc1ccc(cc1)N1CCc2nc(COc3ccccc3)cn2C1=O
Structure:
Search PDB for entries with ligand similarity: