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Literature summary for 3.1.3.11 extracted from
- Discovery of novel indole derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase (2015), Eur. J. Med. Chem., 90, 394-405 .
Cloned(Commentary)
| Cloned (Comment) | Organism |
|---|---|
| expression in Escherichia coli | Homo sapiens |
| gene FBP1, recombinant expression of C-terminally His6-tagged enzyme in Escherichia coli strain BL21(DE3) Rosetta | Homo sapiens |
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| 1-(cyclopropyl)methyl-3-(2-carboxyethyl)-7-nitro-1H-indole-2-carboxylic acid | - |
Homo sapiens |  |
| 1-benzyl-3-(2-carboxyethyl)-7-nitro-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-(ethoxycarbonyl)-7-nitro-1H-indol-3-yl)propanoic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-4,6-dichloro-1H-indole-2-carboxylic acid | MDL-29951 | Homo sapiens | |
| 3-(2-carboxyethyl)-4-(2-fluorophenyl)-7-nitro-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-4-(2-methylpropyl)-7-nitro-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-4-(3-fluorophenyl)-7-nitro-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-4-(3-methoxyanilino)-7-nitro-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-4-(3-methoxyphenyl)-7-nitro-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-4-(4-fluorophenyl)-7-nitro-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-4-(4-methoxyanilino)-7-nitro-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-4-(4-methoxyphenyl)-7-nitro-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-4-chloro-7-nitro-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-4-ethyl-7-nitro-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-4-isobutyl-7-nitro-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-5-(2-methylpropyl)-7-nitro-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-5-bromo-7-nitro-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-5-chloro-7-nitro-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-5-ethyl-7-nitro-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-5-ethyl-7-nitro-1H-indole-2-carboxylicacid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-5-isobutyl-7-nitro-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-5-nitro-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-5-phenylamino-7-nitro-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-7-nitro-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-7-nitro-4-(3-methoxyphenylamino)-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-7-nitro-4-(3-nitrophenyl)-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-7-nitro-4-(4-methoxyphenylamino)-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-7-nitro-4-(4-nitrophenyl)-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-7-nitro-4-phenyl-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-7-nitro-4-phenylamino-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 3-(2-carboxyethyl)-7-nitro-5-phenyl-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 4-anilino-3-(2-carboxyethyl)-7-nitro-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 5-anilino-3-(2-carboxyethyl)-7-nitro-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 5-bromo-3-(2-carboxyethyl)-7-nitro-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| 7-amino-3-(2-carboxyethyl)-1H-indole-2-carboxylic acid | - |
Homo sapiens | |
| AMP | - |
Homo sapiens | |
| ethyl 2-[((5-[2-amino-5-(2,2-dimethylpropanoyl)-1,3-thiazol-4-yl]furan-2-yl)[(1-ethoxy-2-methyl-1-oxopropan-2-yl)amino]phosphoryl)amino]-2-methylpropanoate | MB07803 | Homo sapiens | |
| additional information | a series of novel indole derivatives is designed and synthesized as inhibitors of fructose-1,6-bisphosphatase (FBPase), structure-activity relationships, molecular docking, overview. No inhibition by 3-(2-carboxyethyl)-4-nitro-1H-indole-2-carboxylic acid and 3-(2-carboxyethyl)-6-nitro-1H-indole-2-carboxylic acid | 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. |
|---|---|---|---|---|---|---|
| D-fructose 1,6-bisphosphate + H2O | Homo sapiens | - |
D-fructose 6-phosphate + phosphate | - |
? | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Homo sapiens | - |
- |
- |
| Homo sapiens | P09467 | - |
- |
Purification (Commentary)
| Purification (Comment) | Organism |
|---|---|
- |
Homo sapiens |
| recombinant C-terminally His6-tagged enzyme from Escherichia coli strain BL21(DE3) Rosetta by metal chelating affinity chromatography | Homo sapiens |
Source Tissue
| Source Tissue | Comment | Organism | Textmining |
|---|---|---|---|
| liver | - |
Homo sapiens | - |
Substrates and Products (Substrate)
| Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|
| D-fructose 1,6-bisphosphate + H2O | - |
Homo sapiens | D-fructose 6-phosphate + phosphate | - |
? | |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| FBPase | - |
Homo sapiens |
| fructose-1,6-bisphosphatase | - |
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 |
|---|---|---|---|---|---|
| 0.0001 | - |
37°C, pH 7.5 | Homo sapiens | 3-(2-carboxyethyl)-5-ethyl-7-nitro-1H-indole-2-carboxylic acid | |
| 0.0001 | - |
pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 3-(2-carboxyethyl)-5-ethyl-7-nitro-1H-indole-2-carboxylicacid | |
| 0.00045 | - |
37°C, pH 7.5 | Homo sapiens | 3-(2-carboxyethyl)-5-(2-methylpropyl)-7-nitro-1H-indole-2-carboxylic acid | |
| 0.00045 | - |
pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 3-(2-carboxyethyl)-5-isobutyl-7-nitro-1H-indole-2-carboxylic acid | |
| 0.00069 | - |
37°C, pH 7.5 | Homo sapiens | 3-(2-carboxyethyl)-4-(2-methylpropyl)-7-nitro-1H-indole-2-carboxylic acid | |
| 0.00069 | - |
37°C, pH 7.5 | Homo sapiens | 4-anilino-3-(2-carboxyethyl)-7-nitro-1H-indole-2-carboxylic acid | |
| 0.00069 | - |
pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 3-(2-carboxyethyl)-4-isobutyl-7-nitro-1H-indole-2-carboxylic acid | |
| 0.00069 | - |
pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 3-(2-carboxyethyl)-7-nitro-4-phenylamino-1H-indole-2-carboxylic acid | |
| 0.00088 | - |
37°C, pH 7.5 | Homo sapiens | 3-(2-carboxyethyl)-4-chloro-7-nitro-1H-indole-2-carboxylic acid | |
| 0.00088 | - |
pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 3-(2-carboxyethyl)-4-chloro-7-nitro-1H-indole-2-carboxylic acid | |
| 0.0011 | - |
37°C, pH 7.5 | Homo sapiens | 3-(2-carboxyethyl)-7-nitro-4-(3-nitrophenyl)-1H-indole-2-carboxylic acid | |
| 0.0011 | - |
pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 3-(2-carboxyethyl)-7-nitro-4-(3-nitrophenyl)-1H-indole-2-carboxylic acid | |
| 0.00129 | - |
37°C, pH 7.5 | Homo sapiens | 5-bromo-3-(2-carboxyethyl)-7-nitro-1H-indole-2-carboxylic acid | |
| 0.00129 | - |
pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 3-(2-carboxyethyl)-5-bromo-7-nitro-1H-indole-2-carboxylic acid | |
| 0.00131 | - |
37°C, pH 7.5 | Homo sapiens | 3-(2-carboxyethyl)-4-(3-methoxyanilino)-7-nitro-1H-indole-2-carboxylic acid | |
| 0.00131 | - |
pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 3-(2-carboxyethyl)-7-nitro-4-(3-methoxyphenylamino)-1H-indole-2-carboxylic acid | |
| 0.0014 | - |
37°C, pH 7.5 | Homo sapiens | 3-(2-carboxyethyl)-7-nitro-4-phenyl-1H-indole-2-carboxylic acid | |
| 0.0014 | - |
pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 3-(2-carboxyethyl)-7-nitro-4-phenyl-1H-indole-2-carboxylic acid | |
| 0.0016 | - |
37°C, pH 7.5 | Homo sapiens | 5-anilino-3-(2-carboxyethyl)-7-nitro-1H-indole-2-carboxylic acid | |
| 0.0016 | - |
pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 3-(2-carboxyethyl)-5-phenylamino-7-nitro-1H-indole-2-carboxylic acid | |
| 0.0017 | - |
37°C, pH 7.5 | Homo sapiens | 3-(2-carboxyethyl)-4-(4-methoxyanilino)-7-nitro-1H-indole-2-carboxylic acid | |
| 0.0017 | - |
pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 3-(2-carboxyethyl)-7-nitro-4-(4-methoxyphenylamino)-1H-indole-2-carboxylic acid | |
| 0.0018 | - |
37°C, pH 7.5 | Homo sapiens | 3-(2-carboxyethyl)-4-(4-methoxyphenyl)-7-nitro-1H-indole-2-carboxylic acid | |
| 0.0018 | - |
pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 3-(2-carboxyethyl)-4-(4-methoxyphenyl)-7-nitro-1H-indole-2-carboxylic acid | |
| 0.002 | - |
37°C, pH 7.5 | Homo sapiens | 3-(2-carboxyethyl)-7-nitro-4-(4-nitrophenyl)-1H-indole-2-carboxylic acid | |
| 0.002 | - |
pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 3-(2-carboxyethyl)-7-nitro-4-(4-nitrophenyl)-1H-indole-2-carboxylic acid | |
| 0.00207 | - |
37°C, pH 7.5 | Homo sapiens | 3-(2-carboxyethyl)-5-chloro-7-nitro-1H-indole-2-carboxylic acid | |
| 0.00207 | - |
pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 3-(2-carboxyethyl)-5-chloro-7-nitro-1H-indole-2-carboxylic acid | |
| 0.0024 | - |
37°C, pH 7.5 | Homo sapiens | 3-(2-carboxyethyl)-4-(2-fluorophenyl)-7-nitro-1H-indole-2-carboxylic acid | |
| 0.0024 | - |
37°C, pH 7.5 | Homo sapiens | 3-(2-carboxyethyl)-4-(4-fluorophenyl)-7-nitro-1H-indole-2-carboxylic acid | |
| 0.0024 | - |
pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 3-(2-carboxyethyl)-4-(2-fluorophenyl)-7-nitro-1H-indole-2-carboxylic acid | |
| 0.0024 | - |
pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 3-(2-carboxyethyl)-4-(4-fluorophenyl)-7-nitro-1H-indole-2-carboxylic acid | |
| 0.00276 | - |
37°C, pH 7.5 | Homo sapiens | 3-(2-carboxyethyl)-4-ethyl-7-nitro-1H-indole-2-carboxylic acid | |
| 0.00276 | - |
pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 3-(2-carboxyethyl)-4-ethyl-7-nitro-1H-indole-2-carboxylic acid | |
| 0.00517 | - |
37°C, pH 7.5 | Homo sapiens | 3-(2-carboxyethyl)-7-nitro-1H-indole-2-carboxylic acid | |
| 0.00517 | - |
pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 3-(2-carboxyethyl)-7-nitro-1H-indole-2-carboxylic acid | |
| 0.00522 | - |
37°C, pH 7.5 | Homo sapiens | 3-(2-carboxyethyl)-4-(3-methoxyphenyl)-7-nitro-1H-indole-2-carboxylic acid | |
| 0.00522 | - |
pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 3-(2-carboxyethyl)-4-(3-methoxyphenyl)-7-nitro-1H-indole-2-carboxylic acid | |
| 0.00527 | - |
37°C, pH 7.5 | Homo sapiens | 3-(2-carboxyethyl)-4-(3-fluorophenyl)-7-nitro-1H-indole-2-carboxylic acid | |
| 0.00527 | - |
pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 3-(2-carboxyethyl)-4-(3-fluorophenyl)-7-nitro-1H-indole-2-carboxylic acid | |
| 0.00643 | - |
37°C, pH 7.5 | Homo sapiens | 3-(2-carboxyethyl)-7-nitro-5-phenyl-1H-indole-2-carboxylic acid | |
| 0.00643 | - |
pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 3-(2-carboxyethyl)-7-nitro-5-phenyl-1H-indole-2-carboxylic acid | |
| 0.05 | - |
above, pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 3-(2-carboxyethyl)-5-nitro-1H-indole-2-carboxylic acid | |
| 0.05 | - |
above, pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 1-benzyl-3-(2-carboxyethyl)-7-nitro-1H-indole-2-carboxylic acid | |
| 0.05 | - |
above, pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 3-(2-(ethoxycarbonyl)-7-nitro-1H-indol-3-yl)propanoic acid | |
| 0.05 | - |
above, pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 7-amino-3-(2-carboxyethyl)-1H-indole-2-carboxylic acid | |
| 0.05 | - |
above, pH 7.5, 37°C, recombinant His-tagged enzyme | Homo sapiens | 1-(cyclopropyl)methyl-3-(2-carboxyethyl)-7-nitro-1H-indole-2-carboxylic acid | |
General Information
| General Information | Comment | Organism |
|---|---|---|
| physiological function | key enzyme in hepatic gluconeogenesis pathway | Homo sapiens |
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