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Literature summary for 3.1.4.39 extracted from
- Synthesis and structure-activity relationships of tyrosine-based inhibitors of autotaxin (ATX) (2010), Bioorg. Med. Chem. Lett., 20, 7132-7136.
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| additional information | inhibitor development and synthesis, anti and syn forms of the molecules show different effects on the inhibitory potency, homology model docking study, overview | Homo sapiens | |
| [(2R,3S)-3-(hexadecanoylamino)-2-hydroxy-4-[4-(pyridin-2-ylmethoxy)phenyl]butyl]phosphonic acid | - |
Homo sapiens |  |
| [(2R,3S)-3-(hexadecanoylamino)-2-hydroxy-4-[4-[(4-methoxy-3,5-dimethylbenzyl)oxy]phenyl]butyl]phosphonic acid | - |
Homo sapiens | |
| [(2R,3S)-3-(hexadecanoylamino)-2-hydroxy-4-[4-[(4-methoxy-3,5-dimethylpyridin-2-yl)methoxy]phenyl]butyl]phosphonic acid | i.e. VPC8a202 | Homo sapiens | |
| [(2R,3S)-3-(hexadecanoylamino)-2-hydroxy-4-[4-[(4-methoxy-3-methylbenzyl)oxy]phenyl]butyl]phosphonic acid | - |
Homo sapiens | |
| [(2R,3S)-3-(hexadecanoylamino)-2-hydroxy-4-[4-[(4-methoxypyridin-2-yl)methoxy]phenyl]butyl]phosphonic acid | - |
Homo sapiens | |
| [(2R,3S)-4-(4-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methoxy]phenyl)-3-(hexadecanoylamino)-2-hydroxybutyl]phosphonic acid | - |
Homo sapiens | |
| [(2R,3S)-4-[4-(benzyloxy)phenyl]-3-(hexadecanoylamino)-2-hydroxybutyl]phosphonic acid | - |
Homo sapiens | |
| [(2R,3S)-4-[4-[(2,4-dichlorobenzyl)oxy]phenyl]-3-(hexadecanoylamino)-2-hydroxybutyl]phosphonic acid | - |
Homo sapiens | |
| [(2R,3S)-4-[4-[(3,5-dimethyl-4-propoxypyridin-2-yl)methoxy]phenyl]-3-(hexadecanoylamino)-2-hydroxybutyl]phosphonic acid | - |
Homo sapiens | |
| [(2R,3S)-4-[4-[(3,5-dimethylbenzyl)oxy]phenyl]-3-(hexadecanoylamino)-2-hydroxybutyl]phosphonic acid | - |
Homo sapiens | |
| [(2R,3S)-4-[4-[(3,5-dimethylpyridin-2-yl)methoxy]phenyl]-3-(hexadecanoylamino)-2-hydroxybutyl]phosphonic acid | - |
Homo sapiens | |
| [(2R,3S)-4-[4-[(4-ethoxy-3,5-dimethylpyridin-2-yl)methoxy]phenyl]-3-(hexadecanoylamino)-2-hydroxybutyl]phosphonic acid | - |
Homo sapiens | |
Localization
| Localization | Comment | Organism | GeneOntology No. | Textmining |
|---|---|---|---|---|
| extracellular | the enzyme is secreted | Homo sapiens | - |
- |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Homo sapiens | - |
- |
- |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| ATX | - |
Homo sapiens |
| autotaxin | - |
Homo sapiens |
Ki Value [mM]
| Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
|---|---|---|---|---|---|
| 0.001 | - |
[(2R,3S)-3-(hexadecanoylamino)-2-hydroxy-4-[4-[(4-methoxy-3,5-dimethylpyridin-2-yl)methoxy]phenyl]butyl]phosphonic acid | syn configuration, pH and temperature not specified in the publication | Homo sapiens | |
| 0.0015 | - |
[(2R,3S)-4-[4-[(3,5-dimethyl-4-propoxypyridin-2-yl)methoxy]phenyl]-3-(hexadecanoylamino)-2-hydroxybutyl]phosphonic acid | syn configuration, pH and temperature not specified in the publication | Homo sapiens | |
| 0.0016 | - |
[(2R,3S)-4-(4-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methoxy]phenyl)-3-(hexadecanoylamino)-2-hydroxybutyl]phosphonic acid | syn configuration, pH and temperature not specified in the publication | Homo sapiens | |
| 0.0035 | - |
[(2R,3S)-4-(4-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methoxy]phenyl)-3-(hexadecanoylamino)-2-hydroxybutyl]phosphonic acid | anti configuration, pH and temperature not specified in the publication | Homo sapiens | |
| 0.0039 | - |
[(2R,3S)-4-[4-(benzyloxy)phenyl]-3-(hexadecanoylamino)-2-hydroxybutyl]phosphonic acid | anti configuration, pH and temperature not specified in the publication | Homo sapiens | |
| 0.0043 | - |
[(2R,3S)-4-[4-[(3,5-dimethylbenzyl)oxy]phenyl]-3-(hexadecanoylamino)-2-hydroxybutyl]phosphonic acid | syn configuration, pH and temperature not specified in the publication | Homo sapiens | |
| 0.0044 | - |
[(2R,3S)-4-[4-[(3,5-dimethylpyridin-2-yl)methoxy]phenyl]-3-(hexadecanoylamino)-2-hydroxybutyl]phosphonic acid | syn configuration, pH and temperature not specified in the publication | Homo sapiens | |
| 0.0047 | - |
[(2R,3S)-3-(hexadecanoylamino)-2-hydroxy-4-[4-[(4-methoxy-3,5-dimethylbenzyl)oxy]phenyl]butyl]phosphonic acid | syn configuration, pH and temperature not specified in the publication | Homo sapiens | |
| 0.0062 | - |
[(2R,3S)-4-[4-[(3,5-dimethylbenzyl)oxy]phenyl]-3-(hexadecanoylamino)-2-hydroxybutyl]phosphonic acid | anti configuration, pH and temperature not specified in the publication | Homo sapiens | |
| 0.0088 | - |
[(2R,3S)-3-(hexadecanoylamino)-2-hydroxy-4-[4-[(4-methoxy-3-methylbenzyl)oxy]phenyl]butyl]phosphonic acid | syn configuration, pH and temperature not specified in the publication | Homo sapiens | |
| 0.011 | - |
[(2R,3S)-4-[4-[(4-ethoxy-3,5-dimethylpyridin-2-yl)methoxy]phenyl]-3-(hexadecanoylamino)-2-hydroxybutyl]phosphonic acid | anti configuration, pH and temperature not specified in the publication | Homo sapiens | |
| 0.0111 | - |
[(2R,3S)-3-(hexadecanoylamino)-2-hydroxy-4-[4-[(4-methoxy-3,5-dimethylpyridin-2-yl)methoxy]phenyl]butyl]phosphonic acid | anti configuration, pH and temperature not specified in the publication | Homo sapiens | |
| 0.0116 | - |
[(2R,3S)-4-[4-(benzyloxy)phenyl]-3-(hexadecanoylamino)-2-hydroxybutyl]phosphonic acid | syn configuration, pH and temperature not specified in the publication | Homo sapiens | |
| 0.0225 | - |
[(2R,3S)-3-(hexadecanoylamino)-2-hydroxy-4-[4-(pyridin-2-ylmethoxy)phenyl]butyl]phosphonic acid | anti configuration, pH and temperature not specified in the publication | Homo sapiens | |
| 0.0265 | - |
[(2R,3S)-3-(hexadecanoylamino)-2-hydroxy-4-[4-[(4-methoxy-3-methylbenzyl)oxy]phenyl]butyl]phosphonic acid | anti configuration, pH and temperature not specified in the publication | Homo sapiens | |
| 0.027 | - |
[(2R,3S)-3-(hexadecanoylamino)-2-hydroxy-4-[4-(pyridin-2-ylmethoxy)phenyl]butyl]phosphonic acid | syn configuration, pH and temperature not specified in the publication | Homo sapiens | |
| 0.083 | - |
[(2R,3S)-3-(hexadecanoylamino)-2-hydroxy-4-[4-[(4-methoxypyridin-2-yl)methoxy]phenyl]butyl]phosphonic acid | anti configuration, pH and temperature not specified in the publication | Homo sapiens | |
| 0.0889 | - |
[(2R,3S)-4-[4-[(2,4-dichlorobenzyl)oxy]phenyl]-3-(hexadecanoylamino)-2-hydroxybutyl]phosphonic acid | syn configuration, pH and temperature not specified in the publication | Homo sapiens | |
| 0.2175 | - |
[(2R,3S)-3-(hexadecanoylamino)-2-hydroxy-4-[4-[(4-methoxy-3,5-dimethylbenzyl)oxy]phenyl]butyl]phosphonic acid | anti configuration, pH and temperature not specified in the publication | Homo sapiens | |
| 0.399 | - |
[(2R,3S)-4-[4-[(2,4-dichlorobenzyl)oxy]phenyl]-3-(hexadecanoylamino)-2-hydroxybutyl]phosphonic acid | anti configuration, pH and temperature not specified in the publication | Homo sapiens | |
| 0.5841 | - |
[(2R,3S)-4-[4-[(4-ethoxy-3,5-dimethylpyridin-2-yl)methoxy]phenyl]-3-(hexadecanoylamino)-2-hydroxybutyl]phosphonic acid | syn configuration, pH and temperature not specified in the publication | Homo sapiens | |
| 1.059 | - |
[(2R,3S)-4-[4-[(3,5-dimethyl-4-propoxypyridin-2-yl)methoxy]phenyl]-3-(hexadecanoylamino)-2-hydroxybutyl]phosphonic acid | anti configuration, pH and temperature not specified in the publication | Homo sapiens | |
General Information
| General Information | Comment | Organism |
|---|---|---|
| physiological function | autotaxin is a secreted soluble enzyme that generates lysophosphatidic acid through its lysophospholipase D activity | Homo sapiens |
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