Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCytochrome P450 1A2
LigandBDBM50317426
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1661005 (CHEMBL4010617)
IC50 27300±n/a nM
Citation Kim, HJKim, ISRehman, SUHa, SKNakamura, KYoo, HH Effects of 6-paradol, an unsaturated ketone from gingers, on cytochrome P450-mediated drug metabolism. Bioorg Med Chem Lett27:1826-1830 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 1A2
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:
MALSQSVPFSATELLLASAIFCLVFWVLKGLRPRVPKGLKSPPEPWGWPLLGHVLTLGKN
PHLALSRMSQRYGDVLQIRIGSTPVLVLSRLDTIRQALVRQGDDFKGRPDLYTSTLITDG
QSLTFSTDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAKALISRLQELM
AGPGHFDPYNQVVVSVANVIGAMCFGQHFPESSDEMLSLVKNTHEFVETASSGNPLDFFP
ILRYLPNPALQRFKAFNQRFLWFLQKTVQEHYQDFDKNSVRDITGALFKHSKKGPRASGN
LIPQEKIVNLVNDIFGAGFDTVTTAISWSLMYLVTKPEIQRKIQKELDTVIGRERRPRLS
DRPQLPYLEAFILETFRHSSFLPFTIPHSTTRDTTLNGFYIPKKCCVFVNQWQVNHDPEL
WEDPSEFRPERFLTADGTAINKPLSEKMMLFGMGKRRCIGEVLAKWEIFLFLAILLQQLE
FSVPPGVKVDLTPIYGLTMKHARCEHVQARLRFSIN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50317426
n/a
NameBDBM50317426
Synonyms:8-Gingerol | CHEMBL1095671
TypeSmall organic molecule
Emp. Form.C19H30O4
Mol. Mass.322.4391
SMILESCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: