Literature summary for 1.1.1.21 extracted from

Van Zandt, M.C.; Doan, B.; Sawicki, D.R.; Sredy, J.; Podjarny, A.D.
Discovery of [3-(4,5,7-trifluoro-benzothiazol-2-ylmethyl)-pyrrolo[2,3-b]pyridin-1-yl]acetic acids as highly potent and selective inhibitors of aldose reductase for treatment of chronic diabetic complications (2009), Bioorg. Med. Chem. Lett., 19, 2006-2008.

Search for more literature for 1.1.1.21

Cloned(Commentary)

Cloned (Comment)	Organism
expression of ALR2 in Escherichia coli	Homo sapiens

Crystallization (Commentary)

Crystallization (Comment)	Organism
purified recombinant ALR2, with the oxidized form of beta-NADPH, pH 5.0, 4°C, X-ray diffraction structure determination and analysis at 1.8 A resolution	Homo sapiens

Inhibitors

Inhibitors	Comment	Organism	Structure
lidorestat	-	Homo sapiens
additional information	development of series of highly potent and selective [3-(4,5,7-trifluoro-benzothiazol-2-ylmethyl)-pyrrolo[2,3-b]pyridin-1-yl]acetic acid aldose reductase inhibitors. The compounds inhibit aldose reductase, but are inactive against aldehyde reductase	Homo sapiens
[3-(4,5,7-trifluoro-benzothiazol-2-ylmethyl)-pyrrolo[2,3-b]pyridin-1-yl]acetic acid	-	Homo sapiens
[6-ethyl-3-(4,5,7-trifluoro-benzothiazol-2-ylmethyl)-pyrrolo[2,3-b]pyridin-1-yl]acetic acid	-	Homo sapiens
[6-methyl-3-(4,5,7-trifluoro-benzothiazol-2-ylmethyl)-pyrrolo[2,3-b]pyridin-1-yl]acetic acid	-	Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
D-glucose + NADPH + H+	Homo sapiens	aldose reductase, ALR2	sorbitol + NADP+	-	?
sorbitol + NAD+	Homo sapiens	aldehyde reductase, ALR1	D-fructose + NADH + H+	-	?

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	-	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
D-glucose + NADPH + H+	aldose reductase, ALR2	Homo sapiens	sorbitol + NADP+	-	?
sorbitol + NAD+	aldehyde reductase, ALR1	Homo sapiens	D-fructose + NADH + H+	-	?

Synonyms

Synonyms	Comment	Organism
aldehyde reductase	-	Homo sapiens
aldose reductase	-	Homo sapiens
ALR1	-	Homo sapiens
ALR2	-	Homo sapiens

Cofactor

Cofactor	Comment	Organism	Structure
NAD+	-	Homo sapiens
NADP+	-	Homo sapiens
NADPH	-	Homo sapiens

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.000005	-	ALR2, pH not specified in the publication, temperature not specified in the publication	Homo sapiens	lidorestat
0.000007	-	ALR2, pH not specified in the publication, temperature not specified in the publication	Homo sapiens	[3-(4,5,7-trifluoro-benzothiazol-2-ylmethyl)-pyrrolo[2,3-b]pyridin-1-yl]acetic acid
0.000008	-	ALR2, pH not specified in the publication, temperature not specified in the publication	Homo sapiens	[6-methyl-3-(4,5,7-trifluoro-benzothiazol-2-ylmethyl)-pyrrolo[2,3-b]pyridin-1-yl]acetic acid
0.000012	-	ALR2, pH not specified in the publication, temperature not specified in the publication	Homo sapiens	[6-ethyl-3-(4,5,7-trifluoro-benzothiazol-2-ylmethyl)-pyrrolo[2,3-b]pyridin-1-yl]acetic acid
0.027	-	ALR1, pH not specified in the publication, temperature not specified in the publication	Homo sapiens	lidorestat
0.1	-	above, ALR1, pH not specified in the publication, temperature not specified in the publication	Homo sapiens	[3-(4,5,7-trifluoro-benzothiazol-2-ylmethyl)-pyrrolo[2,3-b]pyridin-1-yl]acetic acid
0.1	-	above, ALR1, pH not specified in the publication, temperature not specified in the publication	Homo sapiens	[6-methyl-3-(4,5,7-trifluoro-benzothiazol-2-ylmethyl)-pyrrolo[2,3-b]pyridin-1-yl]acetic acid
0.1012	-	above, ALR1, pH not specified in the publication, temperature not specified in the publication	Homo sapiens	[6-ethyl-3-(4,5,7-trifluoro-benzothiazol-2-ylmethyl)-pyrrolo[2,3-b]pyridin-1-yl]acetic acid

General Information

General Information	Comment	Organism
metabolism	aldose reductase, ALR2, and aldehyde reductase, ALR1, catalyse two following steps in the polyol pathway, overview	Homo sapiens

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Release 2023.1 (January 2023)