Ligand caffeic acid phenethyl ester

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Basic Ligand Information

Molecular Structure
Picture of caffeic acid phenethyl ester (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C17H16O4
caffeic acid phenethyl ester
SWUARLUWKZWEBQ-VQHVLOKHSA-N
Synonyms:
2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, 2-phenylethyl caffeate, phenethyl caffeate

Roles as Enzyme Ligand

Substrate in Enzyme-catalyzed Reactions (1 result)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
phenethyl caffeate + H2O = phenylethanol + caffeate
show the reaction diagram
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Product in Enzyme-catalyzed Reactions (2 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE

Inhibitor in Enzyme-catalyzed Reactions (9 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
55.0% inhibition at 0.004 mM, competitively inhibits the enzyme by binding to the active site, have a protective effect against reactive oxygen species in cells, structure-function relationship, computational molecular docking, overview
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COMT from liver, using 2-hydroxyestradiol as substrate, in Tris-HCl buffer (10 mM, pH 7.4), at 37°C; COMT from liver, using 4-hydroxyestradiol as substrate, in Tris-HCl buffer (10 mM, pH 7.4), at 37°C
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down-regulation of expression of PP2A catalytic subunit in cells treated with caffeic acid phenethyl ester at 48 h
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reduces the enzyme activity in vivo, suppresses the induction of the enzyme by cisplatin in vivo
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3D Structure of Enzyme-Ligand-Complex (PDB) (7 results)

Enzyme Kinetic Parameters

IC50 Value (4 results)

EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
COMMENTARY
LITERATURE

References & Links

Links to other databases for caffeic acid phenethyl ester

ChEBI
PubChem
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PubChem