BRENDA - Enzyme Database

In silico and pharmacological screenings identify novel serine racemase inhibitors

Mori, H.; Wada, R.; Li, J.; Ishimoto, T.; Mizuguchi, M.; Obita, T.; Gouda, H.; Hirono, S.; Toyooka, N.; Bioorg. Med. Chem. Lett. 24, 3732-3735 (2014)

Data extracted from this reference:

Inhibitors
EC Number
Inhibitors
Commentary
Organism
Structure
5.1.1.18
malonate
-
Homo sapiens
5.1.1.18
additional information
in silico and pharmacological inhibitor screenings, enzyme homology modeling, four active sites of hSR (two malonate-bound and two ligand-free forms) are used in this protein structure-based virtual screening, ligand docking
Homo sapiens
5.1.1.18
N-(4-bromophenyl)-N2-[(4-fluorophenoxy)acetyl]glycinamide
-
Homo sapiens
5.1.1.18
N2-[(4-bromophenoxy)acetyl]-N-(2,6-difluorophenyl)glycinamide
-
Homo sapiens
5.1.1.18
N2-[(4-bromophenoxy)acetyl]-N-(4-iodophenyl)glycinamide
-
Homo sapiens
5.1.1.18
N2-[(4-fluorophenoxy)acetyl]-N-(4-iodophenyl)glycinamide
-
Homo sapiens
Natural Substrates/ Products (Substrates)
EC Number
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
5.1.1.18
L-serine
Homo sapiens
-
D-serine
-
-
r
Organism
EC Number
Organism
Primary Accession No. (UniProt)
Commentary
Textmining
5.1.1.18
Homo sapiens
Q9GZT4
-
-
Substrates and Products (Substrate)
EC Number
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
5.1.1.18
L-serine
-
747264
Homo sapiens
D-serine
-
-
-
r
Cofactor
EC Number
Cofactor
Commentary
Organism
Structure
5.1.1.18
pyridoxal 5'-phosphate
-
Homo sapiens
IC50 Value
EC Number
IC50 Value
IC50 Value Maximum
Commentary
Organism
Inhibitor
Structure
5.1.1.18
1.31
-
pH and temperature not specified in the publication
Homo sapiens
malonate
Cofactor (protein specific)
EC Number
Cofactor
Commentary
Organism
Structure
5.1.1.18
pyridoxal 5'-phosphate
-
Homo sapiens
IC50 Value (protein specific)
EC Number
IC50 Value
IC50 Value Maximum
Commentary
Organism
Inhibitor
Structure
5.1.1.18
1.31
-
pH and temperature not specified in the publication
Homo sapiens
malonate
Inhibitors (protein specific)
EC Number
Inhibitors
Commentary
Organism
Structure
5.1.1.18
malonate
-
Homo sapiens
5.1.1.18
additional information
in silico and pharmacological inhibitor screenings, enzyme homology modeling, four active sites of hSR (two malonate-bound and two ligand-free forms) are used in this protein structure-based virtual screening, ligand docking
Homo sapiens
5.1.1.18
N-(4-bromophenyl)-N2-[(4-fluorophenoxy)acetyl]glycinamide
-
Homo sapiens
5.1.1.18
N2-[(4-bromophenoxy)acetyl]-N-(2,6-difluorophenyl)glycinamide
-
Homo sapiens
5.1.1.18
N2-[(4-bromophenoxy)acetyl]-N-(4-iodophenyl)glycinamide
-
Homo sapiens
5.1.1.18
N2-[(4-fluorophenoxy)acetyl]-N-(4-iodophenyl)glycinamide
-
Homo sapiens
Natural Substrates/ Products (Substrates) (protein specific)
EC Number
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
5.1.1.18
L-serine
Homo sapiens
-
D-serine
-
-
r
Substrates and Products (Substrate) (protein specific)
EC Number
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
5.1.1.18
L-serine
-
747264
Homo sapiens
D-serine
-
-
-
r
General Information
EC Number
General Information
Commentary
Organism
5.1.1.18
additional information
homology modeling of the ligand-free form of the human enzyme, in which the X-ray crystal structure of ligand-free rat enzyme, PDB ID 3HMK, is used as a template
Homo sapiens
General Information (protein specific)
EC Number
General Information
Commentary
Organism
5.1.1.18
additional information
homology modeling of the ligand-free form of the human enzyme, in which the X-ray crystal structure of ligand-free rat enzyme, PDB ID 3HMK, is used as a template
Homo sapiens