Ligand tolrestat

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Basic Ligand Information

Molecular Structure
Picture of tolrestat (click for magnification)
Molecular Formula
BRENDA Name
InChIKey
C16H14F3NO3S
tolrestat
LUBHDINQXIHVLS-UHFFFAOYSA-N

Roles as Enzyme Ligand

Inhibitor in Enzyme-catalyzed Reactions (53 results)

EC NUMBER
COMMENTARY
LITERATURE
ENZYME 3D STRUCTURE
competitive with respect to (S)-ethyl 3-hydroxybutyrate
-
inhibition pattern for AKR1C21, overview
-
competitive in the oxidation reaction
-

3D Structure of Enzyme-Ligand-Complex (PDB) (5 results)

Enzyme Kinetic Parameters

Ki Value (2 results)

EC NUMBER
KI VALUE [MM]
KI VALUE MAXIMUM [MM]
COMMENTARY
LITERATURE

IC50 Value (7 results)

EC NUMBER
IC50 VALUE
IC50 VALUE MAXIMUM
COMMENTARY
LITERATURE
0.00004
-
pH 7.4, 25°C
0.00016
-
pH 7.4, 25°C, wild-type enzyme

References & Links

Links to other databases for tolrestat

ChEBI
PubChem
ChEBI
PubChem