Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(5Z)-5-(3-aminobenzylidene)-1,3-thiazolidine-2,4-dione | pIC50 is 4.69 | Homo sapiens | |
(5Z)-5-(3-fluorobenzylidene)-1,3-thiazolidine-2,4-dione | pIC50 is 5.04 | Homo sapiens | |
(5Z)-5-(3-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione | pIC50 is 4.97 | Homo sapiens | |
(5Z)-5-(3-methoxybenzylidene)-1,3-thiazolidine-2,4-dione | pIC50 is 4.88 | Homo sapiens | |
(5Z)-5-(3-methylbenzylidene)-1,3-thiazolidine-2,4-dione | pIC50 is 5.03 | Homo sapiens | |
(5Z)-5-(3-phenoxybenzylidene)-1,3-thiazolidine-2,4-dione | pIC50 is 5.21 | Homo sapiens | |
(5Z)-5-(3-{(E)-[(4-hydroxyphenyl)imino]methyl}benzylidene)-1,3-thiazolidine-2,4-dione | pIC50 is 5.73 | Homo sapiens | |
(5Z)-5-(4-fluorobenzylidene)-1,3-thiazolidine-2,4-dione | pIC50 is 5.09 | Homo sapiens | |
(5Z)-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazolidine-2,4-dione | pIC50 is 4.93 | Homo sapiens | |
(5Z)-5-(4-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione | pIC50 is 5.05 | Homo sapiens | |
(5Z)-5-(4-methoxybenzylidene)-1,3-thiazolidine-2,4-dione | pIC50 is 4.39 | Homo sapiens | |
(5Z)-5-(4-{(E)-[(4-hydroxyphenyl)imino]methyl}benzylidene)-1,3-thiazolidine-2,4-dione | pIC50 is 4.64 | Homo sapiens | |
(5Z)-5-(naphthalen-1-ylmethylidene)-1,3-thiazolidine-2,4-dione | pIC50 is 4.97 | Homo sapiens | |
(5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione | pIC50 is 4.89 | Homo sapiens | |
(5Z)-5-[4-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione | pIC50 is 4.50 | Homo sapiens | |
5-(3-phenoxybenzyl)-1,3-thiazolidine-2,4-dione | pIC50 is 4.10 | Homo sapiens | |
5-(4-phenoxybenzyl)-1,3-thiazolidine-2,4-dione | pIC50 is 4.39 | Homo sapiens | |
5-(biphenyl-4-ylmethyl)-1,3-thiazolidine-2,4-dione | pIC50 is 4.18 | Homo sapiens | |
5-[4-(benzyloxy)benzyl]-1,3-thiazolidine-2,4-dione | pIC50 is 4.50 | Homo sapiens | |
methyl [(5Z)-2,4-dioxo-5-(3-phenoxybenzylidene)-1,3-thiazolidin-3-yl]acetate | pIC50 is 5.88 | Homo sapiens | |
methyl [(5Z)-5-(3-aminobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate | pIC50 is 4.41 | Homo sapiens | |
methyl [(5Z)-5-(3-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate | pIC50 is 5.05 | Homo sapiens | |
methyl [(5Z)-5-(3-methylbenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate | pIC50 is 5.00 | Homo sapiens | |
methyl [(5Z)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate | pIC50 is 4.89 | Homo sapiens | |
methyl [(5Z)-5-(4-hydroxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate | pIC50 is 5.21 | Homo sapiens | |
methyl [5-(3-methoxybenzyl)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate | pIC50 is 4.68 | Homo sapiens | |
methyl {(5Z)-2,4-dioxo-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidin-3-yl}acetate | pIC50 is 4.54 | Homo sapiens | |
methyl {(5Z)-2,4-dioxo-5-[4-(trifluoromethyl)benzylidene]-1,3-thiazolidin-3-yl}acetate | pIC50 is 5.46 | Homo sapiens | |
additional information | structure analysis of a series of 2,4-thiazolidinediones derivative ALR2 inhibitors, 3D-QSAR molcular modeling, detailed overview. A large volume group next to the R-substituent will increase the ALR2 inhibitory activity, and adding a -CH2COOH substituent at the R-position can generate a compound with higher predicted activity | Homo sapiens | |
[(5Z)-2,4-dioxo-5-(3-phenoxybenzylidene)-1,3-thiazolidin-3-yl]acetic acid | pIC50 is 6.89 | Homo sapiens | |
[(5Z)-2,4-dioxo-5-(4-phenoxybenzylidene)-1,3-thiazolidin-3-yl]acetic acid | pIC50 is 6.09 | Homo sapiens | |
[(5Z)-5-(3-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid | pIC50 is 6.13 | Homo sapiens | |
[(5Z)-5-(3-hydroxy-4-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid | pIC50 is 6.25 | Homo sapiens | |
[(5Z)-5-(3-hydroxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid | pIC50 is 6.18 | Homo sapiens | |
[(5Z)-5-(3-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid | pIC50 is 6.32 | Homo sapiens | |
[(5Z)-5-(3-methylbenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid | pIC50 is 6.19 | Homo sapiens | |
[(5Z)-5-(3-nitrobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid | pIC50 is 6.31 | Homo sapiens | |
[(5Z)-5-(4-fluorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid | pIC50 is 5.94 | Homo sapiens | |
[(5Z)-5-(4-hydroxy-3-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid | pIC50 is 6.15 | Homo sapiens | |
[(5Z)-5-(4-hydroxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid | pIC50 is 6.82 | Homo sapiens | |
[(5Z)-5-(biphenyl-4-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid | pIC50 is 6.59 | Homo sapiens | |
[(5Z)-5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid | pIC50 is 6.77 | Homo sapiens | |
[2,4-dioxo-5-(3-phenoxybenzyl)-1,3-thiazolidin-3-yl]acetic acid | pIC50 is 6.00 | Homo sapiens | |
[2,4-dioxo-5-(4-phenoxybenzyl)-1,3-thiazolidin-3-yl]acetic acid | pIC50 is 5.55 | Homo sapiens | |
[5-(3-methoxybenzyl)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid | pIC50 is 5.53 | Homo sapiens | |
[5-(4-hydroxybenzyl)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid | pIC50 is 5.68 | Homo sapiens | |
[5-(4-methoxybenzyl)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid | pIC50 is 5.97 | Homo sapiens | |
[5-(biphenyl-4-ylmethyl)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid | pIC50 is 5.77 | Homo sapiens | |
{(5Z)-2,4-dioxo-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidin-3-yl}acetic acid | pIC50 is 6.33 | Homo sapiens | |
{(5Z)-2,4-dioxo-5-[4-(trifluoromethyl)benzylidene]-1,3-thiazolidin-3-yl}acetic acid | pIC50 is 6.34 | Homo sapiens | |
{(5Z)-5-[3-(carboxymethoxy)-4-ethoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid | pIC50 is 5.85 | Homo sapiens | |
{(5Z)-5-[3-(carboxymethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid | pIC50 is 6.64 | Homo sapiens | |
{(5Z)-5-[4-(benzyloxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid | pIC50 is 6.55 | Homo sapiens | |
{(5Z)-5-[4-(carboxymethoxy)-3-methoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid | pIC50 is 6.59 | Homo sapiens | |
{(5Z)-5-[4-(carboxymethoxy)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid | pIC50 is 6.22 | Homo sapiens |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
D-glucose + NADPH + H+ | Homo sapiens | - |
sorbitol + NADP+ | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | - |
- |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
D-glucose + NADPH + H+ | - |
Homo sapiens | sorbitol + NADP+ | - |
? |
Synonyms | Comment | Organism |
---|---|---|
aldose reductase | - |
Homo sapiens |
ALR2 | - |
Homo sapiens |
Cofactor | Comment | Organism | Structure |
---|---|---|---|
NADPH | - |
Homo sapiens |
General Information | Comment | Organism |
---|---|---|
physiological function | ALR2 is an enzyme of the polyol pathway, and of primary importance in the development of degenerative complications of diabetes mellitus, through its ability to reduce excess glucose into sorbitol with concomitant conversion of NADPH to NADP+ | Homo sapiens |