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Target
Cytochrome P450 1A2
Ligand
BDBM50047700
Substrate
n/a
Meas. Tech.
ChEMBL_1451966 (CHEMBL3363410)
IC50
600±n/a nM
Citation
 Bates, BS; Rodriguez, AL; Felts, AS; Morrison, RD; Venable, DF; Blobaum, AL; Byers, FW; Lawson, KP; Daniels, JS; Niswender, CM; Jones, CK; Conn, PJ; Lindsley, CW; Emmitte, KA Discovery of VU0431316: a negative allosteric modulator of mGlu5 with activity in a mouse model of anxiety. Bioorg Med Chem Lett 24:3307-14 (2014) [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:
BDBM50047700
Synonyms:
CHEMBL3314850
Type:
Small organic molecule
Emp. Form.:
C14H9ClN6O2
Mol. Mass.:
328.713
SMILES:
Clc1ccnc(c1)C(=O)Nc1cncc(Oc2cncnc2)n1
Structure:
Search PDB for entries with ligand similarity: