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Literature summary for 2.7.1.40 extracted from
- Synthesis and antitumor activity of novel 2,3-didithiocarbamate substituted naphthoquinones as inhibitors of pyruvate kinase M2 isoform (2018), J. Enzyme Inhib. Med. Chem., 33, 126-129 .
Cloned(Commentary)
| Cloned (Comment) | Organism |
|---|---|
| recombinant expression of His-tagged PKM2 in Escherichia coli strain BL21 | Homo sapiens |
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| (1,4-dioxo-1,4-dihydronaphthalene-2,3-diyl)bis(methylene) bis(diethylcarbamodithioate) | - |
Homo sapiens |  |
| (1,4-dioxo-1,4-dihydronaphthalene-2,3-diyl)bis(methylene) bis(dimethylcarbamodithioate) | - |
Homo sapiens | |
| (1,4-dioxo-1,4-dihydronaphthalene-2,3-diyl)bis(methylene) bis(diprop-2-en-1-ylcarbamodithioate) | - |
Homo sapiens | |
| (1,4-dioxo-1,4-dihydronaphthalene-2,3-diyl)bis(methylene) bis(dipropylcarbamodithioate) | - |
Homo sapiens | |
| (1,4-dioxo-1,4-dihydronaphthalene-2,3-diyl)bis(methylene) di(1,3-thiazolidine-3-carbodithioate) | - |
Homo sapiens | |
| (1,4-dioxo-1,4-dihydronaphthalene-2,3-diyl)bis(methylene) dimorpholine-4-carbodithioate | - |
Homo sapiens | |
| (1,4-dioxo-1,4-dihydronaphthalene-2,3-diyl)bis(methylene) dipyrrolidine-1-carbodithioate | - |
Homo sapiens | |
| (1,4-dioxo-1,4-dihydronaphthalene-2,3-diyl)bis(methylene) dithiomorpholine-4-carbodithioate | - |
Homo sapiens | |
| (3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)methyl piperidine-1-carbodithioate | - |
Homo sapiens | |
| additional information | synthesis and antitumor activity of 2,3-didithiocarbamate substituted naphthoquinones as inhibitors of pyruvate kinase M2 isoform. In vitro cytotoxicity of target compounds in cancer cell lines, IC50 values, overview | Homo sapiens | |
| shikonin | - |
Homo sapiens | |
Metals/Ions
| Metals/Ions | Comment | Organism | Structure |
|---|---|---|---|
| Mg2+ | required | Homo sapiens | |
Natural Substrates/ Products (Substrates)
| Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| ADP + phosphoenolpyruvate | Homo sapiens | - |
ATP + pyruvate | - |
? | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Homo sapiens | P14618 | - |
- |
Purification (Commentary)
| Purification (Comment) | Organism |
|---|---|
| recombinant His-tagged PKM2 from Escherichia coli strain BL21 by nickel affinity chromatography | Homo sapiens |
Source Tissue
| Source Tissue | Comment | Organism | Textmining |
|---|---|---|---|
| B-16 cell | - |
Homo sapiens | - |
| HCT-116 cell | - |
Homo sapiens | - |
| HeLa cell | - |
Homo sapiens | - |
| MCF-7 cell | - |
Homo sapiens | - |
| NCI-H1299 cell | - |
Homo sapiens | - |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| ADP + phosphoenolpyruvate | - |
Homo sapiens | ATP + pyruvate | - |
? | |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| PKM2 | - |
Homo sapiens |
| pyruvate kinase M2 isoform | - |
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 |
|---|---|---|---|
| 7.5 | - |
assay at | Homo sapiens |
IC50 Value
| IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|
| 0.00096 | - |
pH 7.5, 37°C, recombinant enzyme | Homo sapiens | (1,4-dioxo-1,4-dihydronaphthalene-2,3-diyl)bis(methylene) di(1,3-thiazolidine-3-carbodithioate) | |
| 0.00105 | - |
pH 7.5, 37°C, recombinant enzyme | Homo sapiens | (1,4-dioxo-1,4-dihydronaphthalene-2,3-diyl)bis(methylene) dithiomorpholine-4-carbodithioate | |
| 0.00233 | - |
pH 7.5, 37°C, recombinant enzyme | Homo sapiens | (1,4-dioxo-1,4-dihydronaphthalene-2,3-diyl)bis(methylene) dipyrrolidine-1-carbodithioate | |
| 0.00264 | - |
pH 7.5, 37°C, recombinant enzyme | Homo sapiens | (1,4-dioxo-1,4-dihydronaphthalene-2,3-diyl)bis(methylene) dimorpholine-4-carbodithioate | |
| 0.00278 | - |
pH 7.5, 37°C, recombinant enzyme | Homo sapiens | (1,4-dioxo-1,4-dihydronaphthalene-2,3-diyl)bis(methylene) bis(diethylcarbamodithioate) | |
| 0.00295 | - |
pH 7.5, 37°C, recombinant enzyme | Homo sapiens | (3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)methyl piperidine-1-carbodithioate | |
| 0.00308 | - |
pH 7.5, 37°C, recombinant enzyme | Homo sapiens | (1,4-dioxo-1,4-dihydronaphthalene-2,3-diyl)bis(methylene) bis(dipropylcarbamodithioate) | |
| 0.00882 | - |
pH 7.5, 37°C, recombinant enzyme | Homo sapiens | shikonin | |
| 0.01 | - |
pH 7.5, 37°C, recombinant enzyme | Homo sapiens | (1,4-dioxo-1,4-dihydronaphthalene-2,3-diyl)bis(methylene) bis(dimethylcarbamodithioate) | |
| 0.01 | - |
pH 7.5, 37°C, recombinant enzyme | Homo sapiens | (1,4-dioxo-1,4-dihydronaphthalene-2,3-diyl)bis(methylene) bis(diprop-2-en-1-ylcarbamodithioate) | |
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