Ligand bisphenol A

Please wait a moment until all data is loaded. This message will disappear when all data is loaded.

Basic Ligand Information

Molecular Structure
Picture of bisphenol A (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C15H16O2
bisphenol A
IISBACLAFKSPIT-UHFFFAOYSA-N
Synonyms:
2,2-bis(4-hydroxyphenyl)propane, 4,4'-isopropylidenediphenol

Show all pahtways known for Show all pathways known for bisphenol A

Roles as Enzyme Ligand

In Vivo Substrate in Enzyme-catalyzed Reactions (1 result)

EC NUMBER
PROVEN IN VIVO REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
3'-phosphoadenylyl sulfate + bisphenol A = adenosine 3',5'-bisphosphate + ?
show the reaction diagram
-

Substrate in Enzyme-catalyzed Reactions (4 results)

EC NUMBER
REACTION
REACTION DIAGRAM
LITERATURE
ENZYME 3D STRUCTURE
bisphenol A + UDP-glucuronate = ?
show the reaction diagram
-
3'-phosphoadenylylsulfate + 4,4'-isopropylidenediphenol = adenosine 3',5'-bisphosphate + ?
show the reaction diagram
-

Inhibitor in Enzyme-catalyzed Reactions (11 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
i.e. BPA, inhibits glucuronidation of serotonin and 4-methylumbelliferone
-
the secondary and tertiary structures of trypsin are altered by bisphenol S binding, which results in the loosening of the skeleton of the enzyme. Bisphenol S induces microenvironmental changes around tyrosine and tryptophan residues of trypsin. The activity of trypsin does not change remarkably with the increasing concentration of bisphenol S. The binding of bisphenol S to trypsin is a spontaneous process and hydrogen bonding and hydrophobic interactions play a vital role in stabilizing the bisphenol S-trypsin complex. The binding constants of bisphenol S with trypsin are 74200 (25°C) and 59100 L/mol (37°C)
-

3D Structure of Enzyme-Ligand-Complex (PDB) (2 results)

EC NUMBER
ENZYME 3D STRUCTURE

Enzyme Kinetic Parameters

KM Value (1 result)

EC NUMBER
KM VALUE [MM]
KM VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.0043
-
pH 7.4, 37°C

Ki Value (5 results)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.014
-
pH 7.2, 37°C

IC50 Value (5 results)

EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
COMMENTARY
LITERATURE
0.29
-
-

References & Links

Links to other databases for bisphenol A

ChEBI
PubChem
ChEBI
PubChem