Target
Cytochrome P450 1A2
Ligand
BDBM50067028
Substrate
n/a
Meas. Tech.
ChEMBL_497349 (CHEMBL999388)
IC50
41500±n/a nM
Citation
 Appiah-Opong, Rde Esch, ICommandeur, JNAndarini, MVermeulen, NP Structure-activity relationships for the inhibition of recombinant human cytochromes P450 by curcumin analogues. Eur J Med Chem 43:1621-31 (2008) [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:
BDBM50067028
Synonyms:
(1E,4E)-1,5-Bis-(4-hydroxy-3-methoxy-phenyl)-penta-1,4-dien-3-one | (1E,4E)-1,5-bis(4-hydroxy-3-methoxyphenyl)penta-1,4-dien-3-one | 1,5-Bis(4-hydroxy-3-methoxyphenyl)penta-1,4-dien-3-one | 1,5-Bis-(4-hydroxy-3-methoxy-phenyl)-penta-1,4-dien-3-one | 1,5-bis-(4-hydroxy-3-methoxyphenyl)-penta-1,4-dien-3-one | CHEMBL128729 | Go-Y022
Type:
Small organic molecule
Emp. Form.:
C19H18O5
Mol. Mass.:
326.3432
SMILES:
COc1cc(\C=C\C(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Structure:
Search PDB for entries with ligand similarity: