Ligand Kynurenic acid

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 Kynurenic acid (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C10H7NO3
Kynurenic acid
HCZHHEIFKROPDY-UHFFFAOYSA-N
Synonyms:
4-Hydroxy-2-quinolinecarboxylate, 4-hydroxy-2-quinolinecarboxylic acid, 4-hydroxyquinoline-2-carboxylic acid, Kynurenate


Show all pahtways known for Show all BRENDA pathways known for Kynurenic acid

Roles as Enzyme Ligand

In Vivo Substrate in Enzyme-catalyzed Reactions (2 results)

EC NUMBER
LITERATURE
REACTION DIAGRAM
PROVEN IN VIVO REACTION
ENZYME 3D STRUCTURE

In Vivo Product in Enzyme-catalyzed Reactions (3 results)

EC NUMBER
LITERATURE
REACTION DIAGRAM
PROVEN IN VIVO REACTION
ENZYME 3D STRUCTURE
-
show the reaction diagram
L-kynurenine + 2-oxoglutarate = kynurenic acid + L-glutamate + H2O

Substrate in Enzyme-catalyzed Reactions (2 results)

EC NUMBER
LITERATURE
REACTION DIAGRAM
REACTION
ENZYME 3D STRUCTURE

Product in Enzyme-catalyzed Reactions (38 results)

EC NUMBER
LITERATURE
REACTION DIAGRAM
REACTION
ENZYME 3D STRUCTURE
-
show the reaction diagram
L-kynurenine + ? = kynurenic acid + ?
-
-
show the reaction diagram
kynurenine + 2-oxoglutarate = kynurenic acid + L-glutamate
-

Inhibitor in Enzyme-catalyzed Reactions (20 results)

COMMENTARY
EC NUMBER
LITERATURE
ENZYME 3D STRUCTURE
0.1 mM, 57.2% inhibition. 1 mM, 99.4% inhibition
-
13% inhibition at 2 mM and 5% inhibition at 0.2 mM
-
competitive inhibition at 0.2 mM
-
40% inhibition at 0.002 mM
-
IC50: 0.67 mM
-
1 mM, 40% inhibition
-
1 mM, 30% inhibition
-
weak inhibition
exhibits selective inhibitory effects on Sult1b1-mediated sulfation of various compounds with IC50 values in the low micromolar range,
-
exhibits selective inhibitory effects on Sult1b1-mediated sulfation of various compounds with IC50 values in the low micromolar range
-
0.001 mM in 0.06 mM Tris-HCl buffer
-
1 mM, 59% residual activity
-

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
-
0.008
-

IC50 Value (9 results)

COMMENTARY
EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
LITERATURE
IC50: 0.67 mM
0.67
-
IC50 above 0.25 mM, isoform Sult1a1, using 4-nitrophenol as substrate, in 50 mM Tris/HCl buffer, pH 7.4, 1 mM dithiothreitol, 5 mM MgCl2, and 1 mg/ml bovine serum albumin, at 37°C
0.25
-
IC50 above 0.25 mM, isoform Sult1a1, using xanthurenic acid as substrate, in 50 mM Tris/HCl buffer, pH 7.4, 1 mM dithiothreitol, 5 mM MgCl2, and 1 mg/ml bovine serum albumin, at 37°C
0.25
-
isoform Sult1a1, using 4-nitrophenol as substrate, in 50 mM Tris/HCl buffer, pH 7.4, 1 mM dithiothreitol, 5 mM MgCl2, and 1 mg/ml bovine serum albumin, at 37°C
0.022
-
isoform Sult1a1, using xanthurenic acid as substrate, in 50 mM Tris/HCl buffer, pH 7.4, 1 mM dithiothreitol, 5 mM MgCl2, and 1 mg/ml bovine serum albumin, at 37°C
0.0188
-
isoform SULT1B1, using L-triiodothyronine as substrate, in 50 mM Tris/HCl buffer, pH 7.4, 1 mM dithiothreitol, 5 mM MgCl2, and 1 mg/ml bovine serum albumin, at 37°C
0.003
-
isoform SULT1B1, using xanthurenic acid as substrate, in 50 mM Tris/HCl buffer, pH 7.4, 1 mM dithiothreitol, 5 mM MgCl2, and 1 mg/ml bovine serum albumin, at 37°C
0.0049
-
isoform SULT1B1, using L-triiodothyronine as substrate, in 50 mM Tris/HCl buffer, pH 7.4, 1 mM dithiothreitol, 5 mM MgCl2, and 1 mg/ml bovine serum albumin, at 37°C
9
-
isoform SULT1B1, using xanthurenic acid as substrate, in 50 mM Tris/HCl buffer, pH 7.4, 1 mM dithiothreitol, 5 mM MgCl2, and 1 mg/ml bovine serum albumin, at 37°C
0.0337
-

References & Links

Links to other databases for Kynurenic acid

ChEBI
PubChem
-
PubChem