Ligand gabaculine

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 gabaculine (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C7H9NO2
gabaculine
KFNRJXCQEJIBER-UHFFFAOYSA-N
Synonyms:
3-amino-2,3-dihydrobenzoic acid, 5-amino-1,3-cyclohexadienylcarboxylate, 5-amino-1,3-cyclohexadienylcarboxylic acid, 5-amino-1,3-cyclohexadienyl carboxylic acid

Roles as Enzyme Ligand

Inhibitor in Enzyme-catalyzed Reactions (31 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
i.e. gabaculine, strong inhibition
-
complete inhibition by a mixture of hydroxylamine, (aminooxy)acetic acid, and gabaculine as inhibitors specific for pyridoxal 5'-phosphate-dependent enzymes
-
crystal structure of the complex with enzyme
-

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

EC NUMBER
ENZYME 3D STRUCTURE

Enzyme Kinetic Parameters

Ki Value (1 result)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE
0.0071
-
pH 8.8, 37C

IC50 Value (4 results)

EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
COMMENTARY
LITERATURE
0.007
-
25C, pH 9.5
0.0018
-
IC50: 0.0018 mM, potent and irreversible inhibitor

References & Links

Links to other databases for gabaculine

ChEBI
PubChem
ChEBI
PubChem