Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50420701
Substrate
n/a
Meas. Tech.
ChEMBL_1442891 (CHEMBL3377704)
IC50
>10000±n/a nM
Citation
 Robarge, KD; Lee, W; Eigenbrot, C; Ultsch, M; Wiesmann, C; Heald, R; Price, S; Hewitt, J; Jackson, P; Savy, P; Burton, B; Choo, EF; Pang, J; Boggs, J; Yang, A; Yang, X; Baumgardner, M Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479. Bioorg Med Chem Lett 24:4714-23 (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:
BDBM50420701
Synonyms:
CHEMBL2087461
Type:
Small organic molecule
Emp. Form.:
C16H13FIN3O3S
Mol. Mass.:
473.261
SMILES:
OCCONC(=O)c1ccc2cnsc2c1Nc1ccc(I)cc1F
Structure:
Search PDB for entries with ligand similarity: