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Literature summary for 5.1.1.18 extracted from
- Malonate-based inhibitors of mammalian serine racemase kinetic characterization and structure-based computational study (2015), Eur. J. Med. Chem., 89, 189-197 .
Activating Compound
| Activating Compound | Comment | Organism | Structure |
|---|---|---|---|
| ATP | - |
Homo sapiens |  |
| Ca2+ | - |
Homo sapiens | |
| Mg2+ | - |
Homo sapiens | |
| Mn2+ | - |
Homo sapiens | |
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| (thiophen-3-yl)propanedioate | - |
Homo sapiens | |
| 2,2-dichloromalonate | - |
Homo sapiens | |
| 2,2-difluoromalonate | - |
Homo sapiens | |
| 2-aminomalonate | - |
Homo sapiens | |
| 2-carboxylmalonate | - |
Homo sapiens | |
| 2-chloromalonate | - |
Homo sapiens | |
| 2-fluoromalonate | - |
Homo sapiens | |
| 2-Hydroxymalonate | - |
Homo sapiens | |
| 2-nitromalonate | - |
Homo sapiens | |
| 3-aminopropane-1,1,3-tricarboxylate | - |
Homo sapiens | |
| benzylpropanedioate | - |
Homo sapiens | |
| bis(hydroxymethyl)propanedioate | - |
Homo sapiens | |
| butylpropanedioic acid | - |
Homo sapiens | |
| cyclobutane-1,1,3,3-tetracarboxylate | - |
Homo sapiens | |
| dimethylmalonate | - |
Homo sapiens | |
| ethane-1,1,2,2-tetracarboxylic acid | - |
Homo sapiens | |
| ethane-1,1,2-tricarboxylate | - |
Homo sapiens | |
| malonate | - |
Homo sapiens | |
| methylmalonate | - |
Homo sapiens | |
| 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 | |
| oxirane-2,3-dicarboxylate | - |
Homo sapiens | |
| propane-1,2,2,3-tetracarboxylate | - |
Homo sapiens | |
Natural Substrates/ Products (Substrates)
| Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| L-serine | Homo sapiens | - |
D-serine | - |
r | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Homo sapiens | Q9GZT4 | - |
- |
Source Tissue
| Source Tissue | Comment | Organism | Textmining |
|---|---|---|---|
| brain | - |
Homo sapiens | - |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| L-serine | - |
Homo sapiens | D-serine | - |
r | |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| hSR | - |
Homo sapiens |
Temperature Optimum [°C]
| Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
|---|---|---|---|
| 37 | - |
assay at | Homo sapiens |
pH Optimum
| pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
|---|---|---|---|
| 8 | - |
assay at | Homo sapiens |
Cofactor
| Cofactor | Comment | Organism | Structure |
|---|---|---|---|
| pyridoxal 5'-phosphate | - |
Homo sapiens | |
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