Ligand butylparaben

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Basic Ligand Information

Molecular Structure
Picture of butylparaben (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C11H14O3
butylparaben
QFOHBWFCKVYLES-UHFFFAOYSA-N
Synonyms:
butyl 4-hydroxybenzoate, butyl paraben

Roles as Enzyme Ligand

Substrate in Enzyme-catalyzed Reactions (3 results)

EC NUMBER
LITERATURE
REACTION DIAGRAM
REACTION
ENZYME 3D STRUCTURE
show the reaction diagram
3'-phosphoadenylyl sulfate + butylparaben = adenosine 3',5'-bisphosphate + butylparaben sulfate
-
show the reaction diagram
butyl paraben + H2O = butanol + 4-hydroxybenzoate
-
show the reaction diagram
butyl 4-hydroxybenzoate + H2O = butanol + 4-hydroxybenzoate
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Inhibitor in Enzyme-catalyzed Reactions (1 result)

COMMENTARY
EC NUMBER
LITERATURE
ENZYME 3D STRUCTURE
50% inhibition at 0.021 mM, complete inhibition at 1 mM; strong inhibition, which is threefold higher in vivo than in vitro
-

3D Structure of Enzyme-Ligand-Complex (PDB) (1 result)

EC NUMBER
ENZYME 3D STRUCTURE

Enzyme Kinetic Parameters

KM Value (1 result)

COMMENTARY
EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
LITERATURE
pH 6.8, 30°C
0.45
-

IC50 Value (5 results)

COMMENTARY
EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
LITERATURE
-
0.037
-
pH 7.4, 37°C, inhibition of estradiol sulfation, liver cytosol
0.021
-
pH 7.4, 37°C, inhibition of estradiol sulfation, NHEK cells
0.012
-
pH 7.4, 37°C, inhibition of estradiol sulfation, skin cytosol
0.037
-
pH 7.4, 37°C, inhibition of estrone sulfation, skin cytosol
0.062
-

References & Links

Links to other databases for butylparaben

ChEBI
PubChem
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PubChem