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Literature summary for 1.1.1.21 extracted from

  • El-Kabbani, O.; Carbone, V.; Darmanin, C.; Oka, M.; Mitschler, A.; Podjarny, A.; Schulze-Briese, C.; Chung, R.P.
    Structure of aldehyde reductase holoenzyme in complex with the potent aldose reductase inhibitor fidarestat: implications for inhibitor binding and selectivity (2005), J. Med. Chem., 48, 5536-5542.
    View publication on PubMed
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Crystallization (Commentary)

Crystallization (Comment) Organism
purified enzyme in complex with inhibitor fidaresta, X-ray diffraction structure determination and analysis at 1.85 A resolution Sus scrofa

Inhibitors

Inhibitors Comment Organism Structure
(2R,4S)-6-fluoro-2',5'-dioxospiro-[chroman-4,4'-imidazoline]-2-carboxamide IC50: 570 nM, mechanism, active site binding modeling, the stereochemistry of the exocyclic amide group influences the affinity for the enzyme Sus scrofa
fidarestat 2S4S-eantiomer, i.e. (2S,4S)-6-fluoro-2',5'-dioxospiro-[chroman-4,4'-imidazoline]-2-carboxamide, IC50: 35 nM, binding site structure, binding to the enzyme does not induce conformational changes in the C-loop region, mechanism, active site binding modeling, the stereochemistry of the exocyclic amide group influences the affinity for the enzyme Sus scrofa
minalrestat cyclic imide inhibitor, mechanism, binds to ALR2 with its isoquinoline ring system located in a hydrophobic pocket formed mainly by the side chains of Trp20, Phe122, and Trp219 Sus scrofa
sorbinil aldose reductase inhibitor, IC50: 900 nM Sus scrofa
Tolrestat potent inhibition, mechanism involves residues Arg312, Leu300, and Phe122 Sus scrofa

Organism

Organism UniProt Comment Textmining
Sus scrofa
-
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
additional information the enzyme catalyzes the NADPH-dependent reduction of aldehydes, xenobiotic aldehydes, ketones, trioses, and triose phosphates Sus scrofa ?
-
 ?

Synonyms

Synonyms Comment Organism
aldose reductase
-
 Sus scrofa
ALR2
-
 Sus scrofa

Cofactor

Cofactor Comment Organism Structure
NADPH dependent on Sus scrofa

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.000035
-
 2S4S-eantiomer, i.e. (2S,4S)-6-fluoro-2',5'-dioxospiro-[chroman-4,4'-imidazoline]-2-carboxamide, IC50: 35 nM, binding site structure, binding to the enzyme does not induce conformational changes in the C-loop region, mechanism, active site binding modelin Sus scrofa fidarestat
0.00057
-
 IC50: 570 nM, mechanism, active site binding modeling, the stereochemistry of the exocyclic amide group influences the affinity for the enzyme Sus scrofa (2R,4S)-6-fluoro-2',5'-dioxospiro-[chroman-4,4'-imidazoline]-2-carboxamide
0.0009
-
 aldose reductase inhibitor, IC50: 900 nM Sus scrofa sorbinil