Literature summary for 1.1.1.21 extracted from

Carbone, V.; Zhao, H.T.; Chung, R.; Endo, S.; Hara, A.; El-Kabbani, O.
Correlation of binding constants and molecular modelling of inhibitors in the active sites of aldose reductase and aldehyde reductase (2009), Bioorg. Med. Chem., 17, 1244-1250.

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Cloned(Commentary)

Cloned (Comment)	Organism
expressed in Escherichia coli cells	Homo sapiens

Inhibitors

Inhibitors	Comment	Organism	Structure
3,5-dichlorosalicylic acid	uncompetitive inhibition	Homo sapiens
minalrestat	uncompetitive inhibition	Homo sapiens
additional information	Arg312 in ALR1 contributes favourably to the binding of 3,5-dichlorosalicylic acid through an electrostatic interaction with the inhibitor's electronegative halide atom and undergoes a conformational change upon tolrestat binding. Tyr116 in ALR1 forms electrostatic interactions with the fluorobenzyl moiety of minalrestat and the 3- and 4-hydroxy groups on the phenyl ring of quercetin.	Homo sapiens
quercetin	uncompetitive inhibition	Homo sapiens
Tolrestat	uncompetitive inhibition	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	P15121	-	-

Purification (Commentary)

Purification (Comment)	Organism
Blue Sepharose column chromatography	Homo sapiens

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
DL-glyceraldehyde + NADPH + H+	-	Homo sapiens	glycerol + NADP+	-	?

Synonyms

Synonyms	Comment	Organism
aldose reductase	-	Homo sapiens
ALR2	-	Homo sapiens

Cofactor

Cofactor	Comment	Organism	Structure
NADPH	-	Homo sapiens

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.00026	-	ALR2 in 50 mM potassium phosphate (pH 6.2)	Homo sapiens	Tolrestat
0.00028	-	ALR2 in 50 mM potassium phosphate (pH 6.2)	Homo sapiens	minalrestat
0.00592	-	ALR2 in 50 mM potassium phosphate (pH 6.2)	Homo sapiens	quercetin
0.127	-	ALR2 in 50 mM potassium phosphate (pH 6.2)	Homo sapiens	3,5-dichlorosalicylic acid

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Release 2023.1 (January 2023)