Reaction Details Report a problem with these data
Target
Cytochrome P450 1A2
Ligand
BDBM50134367
Substrate
n/a
Meas. Tech.
ChEMBL_459100 (CHEMBL926268)
IC50
11±n/a nM
Citation
 Bruno, RD; Njar, VC Targeting cytochrome P450 enzymes: a new approach in anti-cancer drug development. Bioorg Med Chem 15:5047-60 (2007) [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:
BDBM50134367
Synonyms:
2-[(Z)-2-(3,5-Dimethoxy-phenyl)-vinyl]-thiophene | 2-[2-(3,5-dimethoxy-phenyl)-vinyl]-thiophene | CHEMBL122532
Type:
Small organic molecule
Emp. Form.:
C14H14O2S
Mol. Mass.:
246.325
SMILES:
COc1cc(OC)cc(\C=C/c2cccs2)c1
Structure:
Search PDB for entries with ligand similarity: