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BRENDA support

Ligand 4-phenylbutyric acid

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Basic Ligand Information

Molecular Structure
Picture of 4-phenylbutyric acid (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C10H12O2
4-phenylbutyric acid
OBKXEAXTFZPCHS-UHFFFAOYSA-N
Synonyms:
4-phenyl-n-butyrate, 4-phenylbutanoate, 4-phenylbutanoic acid, 4-phenylbutyrate, phenylbutyric acid, phenyl butyric acid

Roles as Enzyme Ligand

Substrate in Enzyme-catalyzed Reactions (2 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
phenylbutyric acid + UDP-glucose = UDP + phenylbutyryl-beta-D-glucoside
show the reaction diagram
-
(E)-cinnamoyl-CoA + 4-phenylbutyrate = (E)-cinnamate + 4-phenylbutyryl-CoA
show the reaction diagram
-

Product in Enzyme-catalyzed Reactions (3 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
4-phenylbutyronitrile + H2O = 4-phenylbutyrate + NH3
show the reaction diagram
-

Inhibitor in Enzyme-catalyzed Reactions (9 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
competitive towards L-Phe
-
inhibits reduction of (E)-2-methyl-2-butenoate
-
Ki: 0.118 mM
-
more than 80% residual activity at 10 mM
-

3D Structure of Enzyme-Ligand-Complex (PDB) (15 results)

Enzyme Kinetic Parameters

KM Value (1 result)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.431
-
-

Ki Value (3 results)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.056
-
-
0.118
-
-
0.0028
-
pH and temperature not specified in the publication

References & Links

Links to other databases for 4-phenylbutyric acid

ChEBI
PubChem
ChEBI
PubChem