Crystallization (Comment) | Organism |
---|---|
crystal structure determination and analysis of enzyme in complexes with inhibitors 2BoA, 3BoA, and 4BoA, at 1.95 A, 1.90 A, and 1.75 A resolution | Mus musculus |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(5Z)-2-(4-ethylpiperazin-1-yl)-5-(4-fluorobenzylidene)-1,3-thiazol-4(5H)-one | 93.8% inhibition at 0.01 mM | Mus musculus | |
(5Z)-2-(azepan-1-yl)-5-(4-propoxybenzylidene)-1,3-thiazol-4(5H)-one | 96.6% inhibition at 0.01 mM | Mus musculus | |
(5Z)-2-(morpholin-4-yl)-5-[4-(pentyloxy)benzylidene]-1,3-thiazol-4(5H)-one | 93.3% inhibition at 0.01 mM | Mus musculus | |
(5Z)-5-(2-chlorobenzylidene)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4(5H)-one | 96.1% inhibition at 0.01 mM | Mus musculus | |
(5Z)-5-(3,4-dichlorobenzylidene)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4(5H)-one | 10.5% inhibition at 0.01 mM | Danio rerio | |
(5Z)-5-(3,4-dichlorobenzylidene)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4(5H)-one | 94.9% inhibition at 0.01 mM | Mus musculus | |
(5Z)-5-(3,4-dichlorobenzylidene)-2-(piperazin-1-yl)-1,3-thiazol-4(5H)-one | - |
Danio rerio | |
(5Z)-5-(3,4-dichlorobenzylidene)-2-(piperazin-1-yl)-1,3-thiazol-4(5H)-one | - |
Mus musculus | |
(5Z)-5-(3,4-dichlorobenzylidene)-2-[4-[4-(dihydroxymethyl)benzyl]piperazin-1-yl]-1,3-thiazol-4(5H)-one | - |
Danio rerio | |
(5Z)-5-(3,4-dichlorobenzylidene)-2-[4-[4-(dihydroxymethyl)benzyl]piperazin-1-yl]-1,3-thiazol-4(5H)-one | - |
Mus musculus | |
(5Z)-5-(3,4-dimethoxybenzylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one | 18.1% inhibition at 0.01 mM | Danio rerio | |
(5Z)-5-(3,4-dimethoxybenzylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one | 95.3% inhibition at 0.01 mM | Mus musculus | |
(5Z)-5-(3-bromobenzylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4(5H)-one | 70.9% inhibition at 0.01 mM | Danio rerio | |
(5Z)-5-(3-bromobenzylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4(5H)-one | 90.7% inhibition at 0.01 mM | Mus musculus | |
(5Z)-5-(4-chlorobenzylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4(5H)-one | 6.2% inhibition at 0.01 mM | Danio rerio | |
(5Z)-5-(4-chlorobenzylidene)-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4(5H)-one | 91.5% inhibition at 0.01 mM | Mus musculus | |
(5Z)-5-(4-ethoxy-3-methoxybenzylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one | 15.7% inhibition at 0.01 mM | Danio rerio | |
(5Z)-5-(4-ethoxy-3-methoxybenzylidene)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one | 92.2% inhibition at 0.01 mM | Mus musculus | |
(5Z)-5-(4-hydroxy-3,5-dimethoxybenzylidene)-2-(morpholin-4-yl)-1,3-thiazol-4(5H)-one | 23.7% inhibition at 0.01 mM | Danio rerio | |
(5Z)-5-(4-hydroxy-3,5-dimethoxybenzylidene)-2-(morpholin-4-yl)-1,3-thiazol-4(5H)-one | 93.2% inhibition at 0.01 mM | Mus musculus | |
(5Z)-5-benzylidene-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4(5H)-one | 69.4% inhibition at 0.01 mM | Danio rerio | |
(5Z)-5-benzylidene-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4(5H)-one | 97.7% inhibition at 0.01 mM | Mus musculus | |
4-(5-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl)benzenesulfonamide | 90.1% inhibition at 0.01 mM | Mus musculus | |
4-amino-6-(2-[4'-[(E)-(8-amino-1-hydroxy-5,7-disulfonaphthalen-2-yl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl]hydrazinyl)-5-hydroxynaphthalene-1,3-disulfonic acid | 99.0% inhibition at 0.01 mM | Mus musculus | |
4-amino-6-(2-{4'-[(E)-(8-amino-1-hydroxy-5,7-disulfonaphthalen-2-yl)diazenyl]-3,3'-dimethoxybiphenyl-4-yl}hydrazinyl)-5-hydroxynaphthalene-1,3-disulfonic acid | 26.2% inhibition at 0.01 mM | Danio rerio | |
4-chloro-N-methyl-N-{2-[2-(methylsulfonyl)hydrazinyl]-2-oxoethyl}benzenesulfonamide | 70.7% inhibition at 0.01 mM | Mus musculus | |
4-chloro-N-methyl-N-{2-[2-(methylsulfonyl)hydrazinyl]-2-oxoethyl}benzenesulfonamide (non-preferred name) | 99.9% inhibition at 0.01 mM | Danio rerio | |
4-[4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]butane-1-sulfonic acid | - |
Danio rerio | |
4-[4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]butane-1-sulfonic acid | - |
Mus musculus | |
4-{5-[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzenesulfonamide | 47.1% inhibition at 0.01 mM | Danio rerio | |
5-[4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]pentanoic acid | - |
Danio rerio | |
5-[4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]pentanoic acid | - |
Mus musculus | |
HA155 | - |
Danio rerio | |
HA155 | - |
Mus musculus | |
additional information | inhibitor screening of thiazolone derivatives, overview. Screening for specific enzyme inhibitors using TG-mTMP, a highly sensitive fluorescence probe for the enzyme, that consists of enzyme recognition moiety, linker moiety, and fluorophore. It is almost nonfluorescent before the enzymatic reaction, and the enzyme generates strongly fluorescent 6-hydroxy-9-(4-methoxy-2-methylphenyl)-3H-xanthen-3-one with elimination of thymidine monophosphate and formaldehyde. In vitro and In vivo studies and evaluation of optimized inhibitors. No or poor inhibition by (5Z)-2-(azepan-1-yl)-5-(4-propoxybenzylidene)-1,3-thiazol-4(5H)-one, (5Z)-2-(morpholin-4-yl)-5-[4-(pentyloxy)benzylidene]-1,3-thiazol-4(5H)-one, (5Z)-2-(4-ethylpiperazin-1-yl)-5-(4-fluorobenzylidene)-1,3-thiazol-4(5H)-one, and (5Z)-5-(2-chlorobenzylidene)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4(5H)-one | Danio rerio | |
additional information | inhibitor screening of thiazolone derivatives, overview. Screening for specific enzyme inhibitors using TG-mTMP, a highly sensitive fluorescence probe for the enzyme, that consists of enzyme recognition moiety, linker moiety, and fluorophore. It is almost nonfluorescent before the enzymatic reaction, and the enzyme generates strongly fluorescent 6-hydroxy-9-(4-methoxy-2-methylphenyl)-3H-xanthen-3-one with elimination of thymidine monophosphate and formaldehyde. In vitro and In vivo studies and evaluation of optimized inhibitors, inhibitory potencies of monosubstituted and disubstituted aryl-methyl derivatives, overview | Mus musculus | |
N-(2-chlorophenyl)-2-([(2E)-2-[1-(pyridin-2-yl)ethylidene]hydrazinyl]carbonothioyl)hydrazinecarbothioamide | 58.3% inhibition at 0.01 mM | Danio rerio | |
N-(2-chlorophenyl)-2-([(2E)-2-[1-(pyridin-2-yl)ethylidene]hydrazinyl]carbonothioyl)hydrazinecarbothioamide | 71.5% inhibition at 0.01 mM | Mus musculus | |
PF8380 | - |
Danio rerio | |
PF8380 | - |
Mus musculus | |
[2-([4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl)phenyl]boronic acid | binding structure, overview | Danio rerio | |
[2-([4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl)phenyl]boronic acid | binding structure, overview | Mus musculus | |
[3-([4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl)phenyl]boronic acid | binding structure, overview | Danio rerio | |
[3-([4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl)phenyl]boronic acid | binding structure, overview | Mus musculus | |
[4-([4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl)phenyl]boronic acid | binding structure, overview | Danio rerio | |
[4-([4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl)phenyl]boronic acid | binding structure, overview | Mus musculus |
Localization | Comment | Organism | GeneOntology No. | Textmining |
---|---|---|---|---|
extracellular | - |
Mus musculus | - |
- |
Metals/Ions | Comment | Organism | Structure |
---|---|---|---|
Mg2+ | required | Danio rerio | |
Mg2+ | required | Mus musculus | |
Zn2+ | enzyme-bound, required | Danio rerio | |
Zn2+ | enzyme-bound, required | Mus musculus |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
additional information | Danio rerio | the enzyme converts lysophospholipids such as lysophosphatidylcholine to lysophosphatidic acid | ? | - |
? | |
additional information | Mus musculus | the enzyme converts lysophospholipids such as lysophosphatidylcholine to lysophosphatidic acid | ? | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Danio rerio | - |
- |
- |
Mus musculus | Q9R1E6 | - |
- |
Source Tissue | Comment | Organism | Textmining |
---|---|---|---|
breast cancer cell | - |
Mus musculus | - |
breast cancer cell | overexpression of the enzyme is frequently observed in cancer tissues, such as breast cancer and glioblastoma | Mus musculus | - |
glioblastoma cell | - |
Mus musculus | - |
plasma | - |
Mus musculus | - |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
additional information | the enzyme converts lysophospholipids such as lysophosphatidylcholine to lysophosphatidic acid | Danio rerio | ? | - |
? | |
additional information | the enzyme converts lysophospholipids such as lysophosphatidylcholine to lysophosphatidic acid | Mus musculus | ? | - |
? |
Synonyms | Comment | Organism |
---|---|---|
ATX | - |
Danio rerio |
ATX | - |
Mus musculus |
lysophospholipase D | - |
Danio rerio |
lysophospholipase D | - |
Mus musculus |
lysoPLD | - |
Danio rerio |
lysoPLD | - |
Mus musculus |
mATX | - |
Mus musculus |
zATX | - |
Danio rerio |
Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
---|---|---|---|
37 | - |
assay at | Danio rerio |
37 | - |
assay at | Mus musculus |
pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
---|---|---|---|
9 | - |
assay at | Danio rerio |
9 | - |
assay at | Mus musculus |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.000013 | - |
pH 9.0, 37°C | Mus musculus | [3-([4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl)phenyl]boronic acid | |
0.000022 | - |
pH 9.0, 37°C | Mus musculus | [4-([4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl)phenyl]boronic acid | |
0.000025 | - |
pH 9.0, 37°C | Mus musculus | (5Z)-5-(3,4-dichlorobenzylidene)-2-[4-[4-(dihydroxymethyl)benzyl]piperazin-1-yl]-1,3-thiazol-4(5H)-one | |
0.00017 | - |
pH 9.0, 37°C | Mus musculus | (5Z)-5-(3,4-dichlorobenzylidene)-2-(piperazin-1-yl)-1,3-thiazol-4(5H)-one | |
0.00023 | - |
pH 9.0, 37°C | Mus musculus | 4-[4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]butane-1-sulfonic acid | |
0.00039 | - |
pH 9.0, 37°C | Mus musculus | 5-[4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]pentanoic acid | |
0.00058 | - |
pH 9.0, 37°C | Mus musculus | [2-([4-[(5Z)-5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]methyl)phenyl]boronic acid |
General Information | Comment | Organism |
---|---|---|
evolution | mouse and human enzymes show high structural homology | Mus musculus |
physiological function | the enzyme is the predominant contributor to lysophosphatidic acid production in the human body, especially in the blood, and therefore has important roles in various physiological functions, including development of vasculature and lymphocyte trafficking | Mus musculus |