Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(1R,3S,4S)-3-amino-4-fluorocyclopentane-1-carboxylic acid | a nonselective aminotransferase inactivator | Homo sapiens | |
(1S,3S)-3-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclopentane-1-carboxylic acid | - |
Homo sapiens | |
(3S)-3-amino-4,4-difluorocyclohex-1-ene-1-carboxylic acid | - |
Homo sapiens | |
(3S,4S)-3-amino-4-fluorocyclohex-1-ene-1-carboxylic acid | - |
Homo sapiens | |
(4S,5S)-5-amino-4-fluorocyclohex-1-ene-1-carboxylic acid | - |
Homo sapiens | |
(5S)-5-amino-4,4-difluorocyclohex-1-ene-1-carboxylic acid | - |
Homo sapiens | |
(S)-vigabatrin | - |
Homo sapiens | |
additional information | design, synthesis, and evaluation of a series of fluorine-substituted cyclohexene analogues, as selective hOAT inhibitors, overview. Molecular dynamics simulations and electrostatic potential charge calculations are conducted to elucidated the significant influence of the one-fluorine difference on the corresponding intermediates, leading to two totally different inactivation pathways. Binding analysis of inhibitors 8 and 9 using the structure of hOAT (PDB ID 1OAT); inactivation mechanism, detailed overview. The compound shows enhanced potency, along with excellent selectivity over other aminotransferases. Enzyme binding structure analysis | Homo sapiens |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
L-ornithine + 2-oxoglutarate | Homo sapiens | - |
L-glutamate 5-semialdehyde + L-glutamate | - |
r |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | P04181 | - |
- |
Source Tissue | Comment | Organism | Textmining |
---|---|---|---|
hepatoma cell | - |
Homo sapiens | - |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
L-ornithine + 2-oxoglutarate | - |
Homo sapiens | L-glutamate 5-semialdehyde + L-glutamate | - |
r |
Subunits | Comment | Organism |
---|---|---|
homodimer | - |
Homo sapiens |
Synonyms | Comment | Organism |
---|---|---|
hOAT | - |
Homo sapiens |
OAT | - |
Homo sapiens |
ornithine aminotransferase | - |
Homo sapiens |
Cofactor | Comment | Organism | Structure |
---|---|---|---|
pyridoxal 5'-phosphate | PLP, dependent on | Homo sapiens |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
additional information | - |
additional information | inhibition kinetics | Homo sapiens |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.0023 | - |
pH 8.0, temperature not specified in the publication | Homo sapiens | (3S)-3-amino-4,4-difluorocyclohex-1-ene-1-carboxylic acid | |
0.031 | - |
pH 8.0, temperature not specified in the publication | Homo sapiens | (3S,4S)-3-amino-4-fluorocyclohex-1-ene-1-carboxylic acid | |
0.065 | - |
pH 8.0, temperature not specified in the publication | Homo sapiens | (1S,3S)-3-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)cyclopentane-1-carboxylic acid | |
0.54 | - |
pH 8.0, temperature not specified in the publication | Homo sapiens | (5S)-5-amino-4,4-difluorocyclohex-1-ene-1-carboxylic acid | |
1.4 | - |
pH 8.0, temperature not specified in the publication | Homo sapiens | (1R,3S,4S)-3-amino-4-fluorocyclopentane-1-carboxylic acid | |
4.38 | - |
pH 8.0, temperature not specified in the publication | Homo sapiens | (4S,5S)-5-amino-4-fluorocyclohex-1-ene-1-carboxylic acid |
General Information | Comment | Organism |
---|---|---|
malfunction | selective inhibition of hOAT has been shown to effectively suppress hepatocellular carcinoma (HCC) tumor growth in vivo | Homo sapiens |
physiological function | human ornithine aminotransferase (hOAT), a pyridoxal 5'-phosphate-dependent enzyme, plays a critical role in the progression of hepatocellular carcinoma (HCC) and in the metabolic reprograming of HCC via proline and glutamine metabolic pathways | Homo sapiens |