Literature summary extracted from

Vorlova, B.; Nachtigallova, D.; Jiraskova-Vanickova, J.; Ajani, H.; Jansa, P.; Rezac, J.; Fanfrlik, J.; Otyepka, M.; Hobza, P.; Konvalinka, J.; Lepsik, M.
Malonate-based inhibitors of mammalian serine racemase kinetic characterization and structure-based computational study (2015), Eur. J. Med. Chem., 89, 189-197 .

Activating Compound

EC Number	Activating Compound	Comment	Organism
5.1.1.18	ATP	-	Homo sapiens
5.1.1.18	Ca2+	-	Homo sapiens
5.1.1.18	Mg2+	-	Homo sapiens
5.1.1.18	Mn2+	-	Homo sapiens

Inhibitors

EC Number	Inhibitors	Comment	Organism
5.1.1.18	(thiophen-3-yl)propanedioate	-	Homo sapiens
5.1.1.18	2,2-dichloromalonate	-	Homo sapiens
5.1.1.18	2,2-difluoromalonate	-	Homo sapiens
5.1.1.18	2-aminomalonate	-	Homo sapiens
5.1.1.18	2-carboxylmalonate	-	Homo sapiens
5.1.1.18	2-chloromalonate	-	Homo sapiens
5.1.1.18	2-fluoromalonate	-	Homo sapiens
5.1.1.18	2-Hydroxymalonate	-	Homo sapiens
5.1.1.18	2-nitromalonate	-	Homo sapiens
5.1.1.18	3-aminopropane-1,1,3-tricarboxylate	-	Homo sapiens
5.1.1.18	benzylpropanedioate	-	Homo sapiens
5.1.1.18	bis(hydroxymethyl)propanedioate	-	Homo sapiens
5.1.1.18	butylpropanedioic acid	-	Homo sapiens
5.1.1.18	cyclobutane-1,1,3,3-tetracarboxylate	-	Homo sapiens
5.1.1.18	dimethylmalonate	-	Homo sapiens
5.1.1.18	ethane-1,1,2,2-tetracarboxylic acid	-	Homo sapiens
5.1.1.18	ethane-1,1,2-tricarboxylate	-	Homo sapiens
5.1.1.18	malonate	-	Homo sapiens
5.1.1.18	methylmalonate	-	Homo sapiens
5.1.1.18	additional information	malonate-based inhibitors of mammalian serine racemase, kinetic characterization and structure-based computational study. Enzyme-inhibitor structure-activity relationship. Ligand docking into the human enzyme active site with three thermodynamically favourable water molecules is able to discern qualitatively between good and weak inhibitors. Further improvement in ranking is obtained using advanced PM6-D3H4X/COSMO semiempirical quantum mechanics-based scoring which distinguishes between the compounds with IC50 better/worse than 2 mM, molecular dynamics, method, overview	Homo sapiens
5.1.1.18	oxirane-2,3-dicarboxylate	-	Homo sapiens
5.1.1.18	propane-1,2,2,3-tetracarboxylate	-	Homo sapiens

Natural Substrates/ Products (Substrates)

EC Number	Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
5.1.1.18	L-serine	Homo sapiens	-	D-serine	-	r

Organism

EC Number	Organism	UniProt	Comment	Textmining
5.1.1.18	Homo sapiens	Q9GZT4	-	-

Source Tissue

EC Number	Source Tissue	Comment	Organism	Textmining
5.1.1.18	brain	-	Homo sapiens	-

Substrates and Products (Substrate)

EC Number	Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
5.1.1.18	L-serine	-	Homo sapiens	D-serine	-	r

Synonyms

EC Number	Synonyms	Comment	Organism
5.1.1.18	hSR	-	Homo sapiens

Temperature Optimum [°C]

EC Number	Temperature Optimum [°C]	Temperature Optimum Maximum [°C]	Comment	Organism
5.1.1.18	37	-	assay at	Homo sapiens

pH Optimum

EC Number	pH Optimum Minimum	pH Optimum Maximum	Comment	Organism
5.1.1.18	8	-	assay at	Homo sapiens

Cofactor

EC Number	Cofactor	Comment	Organism	Structure
5.1.1.18	pyridoxal 5'-phosphate	-	Homo sapiens