Literature summary extracted from

Rocco, F.; Bosso, S.O.; Viola, F.; Milla, P.; Roma, G.; Grossi, G.; Ceruti, M.
Conjugated methyl sulfide and phenyl sulfide derivatives of oxidosqualene as inhibitors of oxidosqualene and squalene-hopene cyclases (2003), Lipids, 38, 201-207.

Inhibitors

EC Number	Inhibitors	Comment	Organism	Structure
5.4.99.17	(18E)-29-methylidenehexanor-2,3-oxidosqualene	IC50 0.2 microMol, pH 6.0, 55°C	Alicyclobacillus acidocaldarius
5.4.99.17	(1E,3E,7E,11E)-15,16-epoxy-8,12,16-trimethyl-1-methylthio-1,3,7,11-heptadecatetraene	IC50 1 microMol, pH 6.0, 55°C	Alicyclobacillus acidocaldarius
5.4.99.17	(1E,3E,7E,11E,15E)-19,20-epoxy-7,12,16,20-tetramethyl-1-methylthio-1,3,7,11,15-heneicosapentaene	IC50 1.4 microMol, pH 6.0, 55°C, not time-dependency up to 10fold higher concentration than IC50	Alicyclobacillus acidocaldarius
5.4.99.17	(1Z,3E,7E,11E)-15,16-epoxy-8,12,16-trimethyl-1-methylthio-1,3,7,11-heptadecatetraene	IC50 4 microMol, pH 6.0, 55°C	Alicyclobacillus acidocaldarius
5.4.99.17	(1Z,3E,7E,11E,15E)-19,20-epoxy-7,12,16,20-tetramethyl-1-methylthio-1,3,7,11,15-heneicosapentaene	IC50 1.8 microMol, pH 6.0, 55°C, not time-dependency up to 10fold higher concentration than IC50	Alicyclobacillus acidocaldarius
5.4.99.17	(3E,7E,11E)-15,16-epoxy-8,12,16-trimethyl-1-phenylthio-1,3,7,11-heptadecatetraene	IC50 2.2 microMol, pH 6.0, 55°C	Alicyclobacillus acidocaldarius
5.4.99.17	(5E,9E)-13,14-epoxy-6,10,14-trimethyl-1-phenylthio-1,5,9-pentadecatriene	IC50 7 microMol, pH 6.0, 55°C	Alicyclobacillus acidocaldarius
5.4.99.17	(5E,9E,13E)-17,18-epoxy-5,10,14,18-tetramethyl-1-phenylthio-1,5,9,13-nonadecatetraene	IC50 3 microMol, pH 6.0, 55°C	Alicyclobacillus acidocaldarius

Organism

EC Number	Organism	UniProt	Comment	Textmining
5.4.99.17	Alicyclobacillus acidocaldarius	-	-	-

Substrates and Products (Substrate)

EC Number	Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
5.4.99.17	squalene	-	Alicyclobacillus acidocaldarius	hopene	-	?

Synonyms

EC Number	Synonyms	Comment	Organism
5.4.99.17	SHC	-	Alicyclobacillus acidocaldarius

IC50 Value

EC Number	IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
5.4.99.17	0.0002	-	IC50 0.2 microMol, pH 6.0, 55°C	Alicyclobacillus acidocaldarius	(18E)-29-methylidenehexanor-2,3-oxidosqualene
5.4.99.17	0.001	-	IC50 1 microMol, pH 6.0, 55°C	Alicyclobacillus acidocaldarius	(1E,3E,7E,11E)-15,16-epoxy-8,12,16-trimethyl-1-methylthio-1,3,7,11-heptadecatetraene
5.4.99.17	0.0014	-	IC50 1.4 microMol, pH 6.0, 55°C, not time-dependency up to 10fold higher concentration than IC50	Alicyclobacillus acidocaldarius	(1E,3E,7E,11E,15E)-19,20-epoxy-7,12,16,20-tetramethyl-1-methylthio-1,3,7,11,15-heneicosapentaene
5.4.99.17	0.0018	-	IC50 1.8 microMol, pH 6.0, 55°C, not time-dependency up to 10fold higher concentration than IC50	Alicyclobacillus acidocaldarius	(1Z,3E,7E,11E,15E)-19,20-epoxy-7,12,16,20-tetramethyl-1-methylthio-1,3,7,11,15-heneicosapentaene
5.4.99.17	0.0022	-	IC50 2.2 microMol, pH 6.0, 55°C	Alicyclobacillus acidocaldarius	(3E,7E,11E)-15,16-epoxy-8,12,16-trimethyl-1-phenylthio-1,3,7,11-heptadecatetraene
5.4.99.17	0.003	-	IC50 3 microMol, pH 6.0, 55°C	Alicyclobacillus acidocaldarius	(5E,9E,13E)-17,18-epoxy-5,10,14,18-tetramethyl-1-phenylthio-1,5,9,13-nonadecatetraene
5.4.99.17	0.004	-	IC50 4 microMol, pH 6.0, 55°C	Alicyclobacillus acidocaldarius	(1Z,3E,7E,11E)-15,16-epoxy-8,12,16-trimethyl-1-methylthio-1,3,7,11-heptadecatetraene
5.4.99.17	0.007	-	IC50 7 microMol, pH 6.0, 55°C	Alicyclobacillus acidocaldarius	(5E,9E)-13,14-epoxy-6,10,14-trimethyl-1-phenylthio-1,5,9-pentadecatriene

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Release 2023.1 (January 2023)