Cloned (Comment) | Organism |
---|---|
gene AKR1B1, recombinant expression of His6-tagged enzyme in Escherichia coli strain BL21 gold (DE3) | Homo sapiens |
Crystallization (Comment) | Organism |
---|---|
purified recombinant enzyme ALR2 in complex with inhibitor 17744184, hanging drop vapour diffusion method, mixing of 15 mg/mL ALR2 protein solution with reservoir solution containing 5% w/v PEG 6000, 5.15 mg/mL DTT, 0.66 mg/mL NADP+, and 50 mM diammonium hydrogen citrate, pH 5.0, equilibration against 1 mL of well solution containing 20% w/v PEG 6000 in 120 mM diammonium hydrogen citrate, pH 5.0, 3 days at 4°C and 2-4 days at 18°C, X-ray diffraction structure determination and analysis at 1.26 A resolution | Homo sapiens |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(1H-indol-1-yl)acetic acid | - |
Homo sapiens | |
(2,3-dihydrocyclopenta[b]indol-4(1H)-yl)acetic acid | - |
Homo sapiens | |
(3-sulfanyl-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid | - |
Homo sapiens | |
(3-[[(2-fluorophenyl)methyl]sulfanyl]-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid | - |
Homo sapiens | |
(3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl]-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid | - |
Homo sapiens | |
(4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)acetic acid | - |
Homo sapiens | |
(6H-indolo[2,3-b]quinoxalin-6-yl)acetic acid | - |
Homo sapiens | |
(7H-indolo[2',3':5,6][1,2,4]triazino[2,3-a]benzimidazol-7-yl)acetic acid | uncompetitive | Homo sapiens | |
(8-methyl-3-[[2-oxo-2-(propylamino)ethyl]sulfanyl]-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid | - |
Homo sapiens | |
2,5-dihydro-3H-[1,2,4]triazino[5,6-b]indole-3-thione | - |
Homo sapiens | |
3-(1H-indol-1-yl)propanoic acid | - |
Homo sapiens | |
3-[3-[(diethylamino)methyl]-1H-indol-1-yl]propanoic acid | - |
Homo sapiens | |
epalrestat | - |
Homo sapiens | |
indole-1-acetic acid | - |
Homo sapiens | |
lidorestat | binding mode, overview | Homo sapiens | |
additional information | identification of aldose reductase inhibitors based on carboxymethylated mercaptotriazinoindole scaffold, structure-activity relationships, overview | Homo sapiens | |
zopolrestat | - |
Homo sapiens | |
[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid | - |
Homo sapiens | |
[3-(2,2-dimethylpropanoyl)-1H-indol-1-yl]acetic acid | - |
Homo sapiens | |
[3-[(diethylamino)methyl]-1H-indol-1-yl]acetic acid | - |
Homo sapiens | |
[3-[(dimethylamino)methyl]-2-methyl-1H-indol-1-yl]acetic acid | - |
Homo sapiens | |
[3-[(morpholin-4-yl)methyl]-1H-indol-1-yl]acetic acid | - |
Homo sapiens | |
[3-[(propan-2-yl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetic acid | - |
Homo sapiens | |
[3-[(pyrrolidin-1-yl)methyl]-1H-indol-1-yl]acetic acid | - |
Homo sapiens |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | P15121 | - |
- |
Purification (Comment) | Organism |
---|---|
recombinant His6-tagged enzyme from Escherichia coli strain BL21 gold (DE3) by nickel affinity chromatography, tag cleavage by thrombin, followed by anion exchange chromatography | Homo sapiens |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
DL-glyceraldehyde + NADPH + H+ | - |
Homo sapiens | ? | - |
? |
Synonyms | Comment | Organism |
---|---|---|
AKR1B1 | - |
Homo sapiens |
aldose reductase | - |
Homo sapiens |
ALR2 | - |
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 |
---|---|---|---|---|---|
0.097 | - |
pH and temperature not specified in the publication | Homo sapiens | (3-sulfanyl-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid | |
0.33 | - |
pH and temperature not specified in the publication | Homo sapiens | (8-methyl-3-[[2-oxo-2-(propylamino)ethyl]sulfanyl]-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid | |
2.05 | - |
pH and temperature not specified in the publication | Homo sapiens | [3-[(propan-2-yl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indol-5-yl]acetic acid | |
2.24 | - |
pH and temperature not specified in the publication | Homo sapiens | (3-[[(2-fluorophenyl)methyl]sulfanyl]-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid | |
2.75 | - |
pH and temperature not specified in the publication | Homo sapiens | (6H-indolo[2,3-b]quinoxalin-6-yl)acetic acid | |
2.87 | - |
pH and temperature not specified in the publication | Homo sapiens | (2,3-dihydrocyclopenta[b]indol-4(1H)-yl)acetic acid | |
3.46 | - |
pH and temperature not specified in the publication | Homo sapiens | [(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid | |
4.06 | - |
pH and temperature not specified in the publication | Homo sapiens | (3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl]-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid | |
4.41 | - |
pH and temperature not specified in the publication | Homo sapiens | 2,5-dihydro-3H-[1,2,4]triazino[5,6-b]indole-3-thione | |
7.3 | - |
pH and temperature not specified in the publication | Homo sapiens | (1H-indol-1-yl)acetic acid | |
9.95 | - |
pH and temperature not specified in the publication | Homo sapiens | (7H-indolo[2',3':5,6][1,2,4]triazino[2,3-a]benzimidazol-7-yl)acetic acid | |
11.46 | - |
pH and temperature not specified in the publication | Homo sapiens | (4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indol-5-yl)acetic acid | |
13.76 | - |
pH and temperature not specified in the publication | Homo sapiens | [3-(2,2-dimethylpropanoyl)-1H-indol-1-yl]acetic acid | |
19.85 | - |
pH and temperature not specified in the publication | Homo sapiens | 3-[3-[(diethylamino)methyl]-1H-indol-1-yl]propanoic acid | |
30.14 | - |
pH and temperature not specified in the publication | Homo sapiens | [3-[(diethylamino)methyl]-1H-indol-1-yl]acetic acid | |
34.52 | - |
pH and temperature not specified in the publication | Homo sapiens | [3-[(morpholin-4-yl)methyl]-1H-indol-1-yl]acetic acid | |
42.16 | - |
pH and temperature not specified in the publication | Homo sapiens | [3-[(dimethylamino)methyl]-2-methyl-1H-indol-1-yl]acetic acid | |
46.48 | - |
pH and temperature not specified in the publication | Homo sapiens | [3-[(pyrrolidin-1-yl)methyl]-1H-indol-1-yl]acetic acid | |
53.54 | - |
pH and temperature not specified in the publication | Homo sapiens | 3-(1H-indol-1-yl)propanoic acid |