Literature summary for 5.4.99.17 extracted from

Schwab, F.; van Gunsteren, W.F.; Zagrovic, B.
Computational study of the mechanism and the relative free energies of binding of anticholesteremic inhibitors to squalene-hopene cyclase (2008), Biochemistry, 47, 2945-2951.

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Inhibitors

Inhibitors	Comment	Organism	Structure
6-[[3-(4-bromophenyl)-1,2-benzisoxazol-6-yl]oxy]-N-methyl-N-prop-2-en-1-ylhexan-1-amine	-	Alicyclobacillus acidocaldarius
6-[[3-(4-bromophenyl)-1-benzofuran-6-yl]oxy]-N-methyl-N-prop-2-en-1-ylhexan-1-amine	-	Alicyclobacillus acidocaldarius
6-[[3-(4-bromophenyl)-1-methyl-1H-indol-6-yl]oxy]-N-methyl-N-prop-2-en-1-ylhexan-1-amine	-	Alicyclobacillus acidocaldarius
6-[[3-(4-bromophenyl)-1H-indazol-6-yl]oxy]-N-methyl-N-prop-2-en-1-ylhexan-1-amine	-	Alicyclobacillus acidocaldarius

Localization

Localization	Comment	Organism	GeneOntology No.	Textmining
membrane	-	Alicyclobacillus acidocaldarius	16020	-

Organism

Organism	UniProt	Comment	Textmining
Alicyclobacillus acidocaldarius	P33247	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
squalene	-	Alicyclobacillus acidocaldarius	hop-22(29)-ene	-	?

Synonyms

Synonyms	Comment	Organism
SHC	-	Alicyclobacillus acidocaldarius

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.000075	-	-	Alicyclobacillus acidocaldarius	6-[[3-(4-bromophenyl)-1,2-benzisoxazol-6-yl]oxy]-N-methyl-N-prop-2-en-1-ylhexan-1-amine

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Release 2023.1 (January 2023)