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Target
Cytochrome P450 1A2
Ligand
BDBM50184414
Substrate
n/a
Meas. Tech.
ChEMBL_1586976 (CHEMBL3825110)
IC50
360±n/a nM
Citation
 Gardinier, KM; Gernert, DL; Porter, WJ; Reel, JK; Ornstein, PL; Spinazze, P; Stevens, FC; Hahn, P; Hollinshead, SP; Mayhugh, D; Schkeryantz, J; Khilevich, A; De Frutos, O; Gleason, SD; Kato, AS; Luffer-Atlas, D; Desai, PV; Swanson, S; Burris, KD; Ding, C; Heinz, BA; Need, AB; Barth, VN; Stephenson, GA; Diseroad, BA; Woods, TA; Yu, H; Bredt, D; Witkin, JM Discovery of the Firsta-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptor Antagonist Dependent upon Transmembrane AMPA Receptor Regulatory Protein (TARP)¿-8. J Med Chem 59:4753-68 (2016) [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:
BDBM50184414
Synonyms:
CHEMBL3823131
Type:
Small organic molecule
Emp. Form.:
C16H12N4OS2
Mol. Mass.:
340.423
SMILES:
CN(c1nc(cs1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1
Structure:
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