Literature summary for 1.13.11.58 extracted from

Zerangnasrabad, S.; Jabbari, A.; Khavari Moghadam, E.; Sadeghian, H.; Seyedi, S.M.
Design, synthesis, and structure-activity relationship study of O-prenylated 3-acetylcoumarins as potent inhibitors of soybean 15-lipoxygenase (2021), Drug Dev. Res., 82, 826-834 .

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Crystallization (Commentary)

Crystallization (Comment)	Organism
docking of inhibitor 7-farnesyloxy-3-acetylcoumarin exhibits pi-pi-interaction between Phe576 and the aromatic ring of coumarin, the carbonyl group in the pyranone ring and acetyl group are able to make a hydrogen bond with the side chain of His513 and Ser510 residues	Glycine max

Inhibitors

Inhibitors	Comment	Organism	Structure
4-methyl-2-(4-methylpiperazinyl)pyrimido[4,5-b]benzothiazine	-	Glycine max
5-farnesyloxycoumarin	-	Glycine max
6-farnesyloxycoumarin	-	Glycine max
7-farnesyloxy-3-acetylcoumarin	-	Glycine max
7-farnesyloxycoumarin	-	Glycine max
7-geranyloxy-3-acetylcoumarin	-	Glycine max
8-farnesyloxy-3-acetylcoumarin	-	Glycine max
8-farnesyloxycoumarin	-	Glycine max
8-geranyloxy-3-acetylcoumarin	-	Glycine max
additional information	not inhibitory: O-geranyl substituents at positions 5 and 6 of 3-acetylcoumarin	Glycine max

Organism

Organism	UniProt	Comment	Textmining
Glycine max	P09186	-	-

Synonyms

Synonyms	Comment	Organism
LOX1.3	-	Glycine max
seed linoleate 9S-lipoxygenase-3	-	Glycine max

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.00068	-	pH 7, 30°C	Glycine max	7-farnesyloxy-3-acetylcoumarin
0.0008	-	pH 7, 30°C	Glycine max	5-farnesyloxycoumarin
0.00146	-	pH 7, 30°C	Glycine max	8-farnesyloxy-3-acetylcoumarin
0.0021	-	pH 7, 30°C	Glycine max	6-farnesyloxycoumarin
0.0031	-	pH 7, 30°C	Glycine max	7-farnesyloxycoumarin
0.0033	-	pH 7, 30°C	Glycine max	7-geranyloxy-3-acetylcoumarin
0.0041	-	pH 7, 30°C	Glycine max	8-geranyloxy-3-acetylcoumarin
0.0058	-	pH 7, 30°C	Glycine max	8-farnesyloxycoumarin
0.018	-	pH 7, 30°C	Glycine max	4-methyl-2-(4-methylpiperazinyl)pyrimido[4,5-b]benzothiazine

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Release 2023.1 (January 2023)