Cloned (Comment) | Organism |
---|---|
expression in Escherichia coli JM 105 | Alicyclobacillus acidocaldarius |
Crystallization (Comment) | Organism |
---|---|
complexes with 11 human oxidosqualene cyclase inhibitors produced by cocrystallization, elucidation of the structures by X-ray diffraction analyses | Alicyclobacillus acidocaldarius |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(4-(2-[(allyl-cyclopropyl-amino)-methyl]-cyclopropylmethoxy)-phenyl)-(4-bromo-phenyl)-methanone | IC50 59 nM | Alicyclobacillus acidocaldarius | |
(4-bromo-phenyl)-(4-(2-[(cyclopropyl-methyl-amino)-methyl]-cyclopropylmethoxy)-2-fluoro-phenyl)-methanone | IC50 50 nM | Alicyclobacillus acidocaldarius | |
(4-bromo-phenyl)-(4-(2-[(cyclopropyl-methyl-amino)-methyl]-cyclopropylmethoxy)-phenyl)-methanone | IC50 62 nM | Alicyclobacillus acidocaldarius | |
(4-bromo-phenyl)-(4-[4-(cyclopropyl-methyl-amino)-but-2-enyloxy]-phenyl)-methanone | IC50 18 nM | Alicyclobacillus acidocaldarius | |
(4-bromo-phenyl)-(4-[6-(cyclopropyl-methyl-amino)-hexyloxy]-2-fluoro-phenyl)-methanone | IC50 38 nM | Alicyclobacillus acidocaldarius | |
(4-chloro-phenyl)-(4-[4-(4,5-dihydro-oxazol-2-yl)-benzylidene]-piperidin-1-yl)-methanone | IC50 2800 nM | Alicyclobacillus acidocaldarius | |
(4-[6-(allyl-methyl-amino)-hexyloxy]-2-fluoro-phenyl)-(4-bromo-phenyl)-methanone | IC50 60 nM | Alicyclobacillus acidocaldarius | |
(4-[6-(allyl-methyl-amino)-hexyloxy]-phenyl)-(4-bromo-phenyl)-methanone | IC50 96 nM | Alicyclobacillus acidocaldarius | |
1-(4-(4-[(4-chloro-phenoxycarbonyl)-methyl-amino]-cyclohexyl)-benzyl)-1-hydroxy-piperidinium | IC50 123 nM | Alicyclobacillus acidocaldarius | |
4'-[4-(allyl-methyl-amino)-but-2-enyloxy]-biphenyl-4-yl-(4-bromo-phenyl)-methanone | IC50 29 nM | Alicyclobacillus acidocaldarius | |
4-[4-(allyl-methyl-amino)-but-2-enyloxy]-phenyl-(4-bromo-phenyl)-methanone | IC50 40 nM | Alicyclobacillus acidocaldarius | |
4-[6-(allyl-methyl-amino)-hexyloxy]-piperidin-1-yl-(4-fluoro-phenyl)-methanone | IC50 1200 nM | Alicyclobacillus acidocaldarius | |
4-[6-(cyclopropyl-methyl-amino)-hexyloxy]-piperidin-1-yl-(4-fluoro-phenyl)-methanone | IC50 760 nM | Alicyclobacillus acidocaldarius | |
allyl-(4-[3-(4-bromo-phenyl)-5-fluoro-1-methyl-1H-indazol-6-yloxy]-but-2-enyl)-methyl-amine | IC50 281 nM; IC50 332 nM | Alicyclobacillus acidocaldarius | |
allyl-(4-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-but-2-enyl)-methyl-amine | IC50 23 nM | Alicyclobacillus acidocaldarius | |
allyl-(4-[3-(4-bromo-phenyl)-benzo[b]thiophen-6-yloxy]-butyl)-methyl-amine | IC50 75 nM | Alicyclobacillus acidocaldarius | |
allyl-(4-[3-(4-bromo-phenyl)-benzo[d]isoxazol-6-yloxy]-but-2-enyl)-amine | IC50 49 nM | Alicyclobacillus acidocaldarius | |
allyl-(4-[4-(6-bromo-benzo[d]isothiazol-3-yl)-phenoxy]-but-2-enyl)-methyl-amine | IC50 130 nM | Alicyclobacillus acidocaldarius | |
allyl-(6-[1-(4-bromo-phenyl)-isoquinolin-6-yloxy]-hexyl)-methyl-amine | IC50 186 nM | Alicyclobacillus acidocaldarius | |
allyl-(6-[3-(4-bromo-phenyl)-1-methyl-1H-indazol-6-yloxy]-hexyl)-methyl-amine | IC50 289 nM | Alicyclobacillus acidocaldarius | |
allyl-(6-[3-(4-bromo-phenyl)-1H-indazol-6-yloxy]-hexyl)-methyl-amine | IC50 180 nM | Alicyclobacillus acidocaldarius | |
allyl-(6-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-hexyl)-methyl-amine | IC50 80 nM | Alicyclobacillus acidocaldarius | |
allyl-(6-[3-(4-bromo-phenyl)-benzo[d]isothiazol-6-yloxy]-hexyl)-methyl-amine | IC50 306 nM | Alicyclobacillus acidocaldarius | |
allyl-(6-[3-(4-bromo-phenyl)-benzo[d]isoxazol-6-yloxy]-hexyl)-methyl-amine | IC50 75 nM | Alicyclobacillus acidocaldarius | |
allyl-(6-[4-(4-bromo-phenyl)-1H-benzo[d][1,2]oxazin-7-yloxy]-hexyl)-methyl-amine | IC50 172 nM | Alicyclobacillus acidocaldarius | |
allyl-(6-[4-(6-bromo-benzo[d]isothiazol-3-yl)-phenoxy]-hexyl)-methyl-amine | IC50 141 nM | Alicyclobacillus acidocaldarius | |
methyl-[4-(4-piperidin-1-ylmethyl-phenyl)-cyclohexyl]-carbamic acid 4-chloro-phenyl ester | IC50 406 nM | Alicyclobacillus acidocaldarius | |
additional information | inhibitors designed as cholesterol-lowering agents, for 11 inhibitors the structures of the enzyme-inhibitor complexes were determined by X-ray crystallography | Alicyclobacillus acidocaldarius |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Alicyclobacillus acidocaldarius | P33247 | - |
- |
Synonyms | Comment | Organism |
---|---|---|
SHC | - |
Alicyclobacillus acidocaldarius |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.000018 | - |
IC50 18 nM | Alicyclobacillus acidocaldarius | (4-bromo-phenyl)-(4-[4-(cyclopropyl-methyl-amino)-but-2-enyloxy]-phenyl)-methanone | |
0.000023 | - |
IC50 23 nM | Alicyclobacillus acidocaldarius | allyl-(4-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-but-2-enyl)-methyl-amine | |
0.000029 | - |
IC50 29 nM | Alicyclobacillus acidocaldarius | 4'-[4-(allyl-methyl-amino)-but-2-enyloxy]-biphenyl-4-yl-(4-bromo-phenyl)-methanone | |
0.000038 | - |
IC50 38 nM | Alicyclobacillus acidocaldarius | (4-bromo-phenyl)-(4-[6-(cyclopropyl-methyl-amino)-hexyloxy]-2-fluoro-phenyl)-methanone | |
0.00004 | - |
IC50 40 nM | Alicyclobacillus acidocaldarius | 4-[4-(allyl-methyl-amino)-but-2-enyloxy]-phenyl-(4-bromo-phenyl)-methanone | |
0.000049 | - |
IC50 49 nM | Alicyclobacillus acidocaldarius | allyl-(4-[3-(4-bromo-phenyl)-benzo[d]isoxazol-6-yloxy]-but-2-enyl)-amine | |
0.00005 | - |
IC50 50 nM | Alicyclobacillus acidocaldarius | (4-bromo-phenyl)-(4-(2-[(cyclopropyl-methyl-amino)-methyl]-cyclopropylmethoxy)-2-fluoro-phenyl)-methanone | |
0.000059 | - |
IC50 59 nM | Alicyclobacillus acidocaldarius | (4-(2-[(allyl-cyclopropyl-amino)-methyl]-cyclopropylmethoxy)-phenyl)-(4-bromo-phenyl)-methanone | |
0.00006 | - |
IC50 60 nM | Alicyclobacillus acidocaldarius | (4-[6-(allyl-methyl-amino)-hexyloxy]-2-fluoro-phenyl)-(4-bromo-phenyl)-methanone | |
0.000062 | - |
IC50 62 nM | Alicyclobacillus acidocaldarius | (4-bromo-phenyl)-(4-(2-[(cyclopropyl-methyl-amino)-methyl]-cyclopropylmethoxy)-phenyl)-methanone | |
0.000075 | - |
IC50 75 nM | Alicyclobacillus acidocaldarius | allyl-(4-[3-(4-bromo-phenyl)-benzo[b]thiophen-6-yloxy]-butyl)-methyl-amine | |
0.000075 | - |
IC50 75 nM | Alicyclobacillus acidocaldarius | allyl-(6-[3-(4-bromo-phenyl)-benzo[d]isoxazol-6-yloxy]-hexyl)-methyl-amine | |
0.00008 | - |
IC50 80 nM | Alicyclobacillus acidocaldarius | allyl-(6-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-hexyl)-methyl-amine | |
0.000096 | - |
IC50 96 nM | Alicyclobacillus acidocaldarius | (4-[6-(allyl-methyl-amino)-hexyloxy]-phenyl)-(4-bromo-phenyl)-methanone | |
0.000123 | - |
IC50 123 nM | Alicyclobacillus acidocaldarius | 1-(4-(4-[(4-chloro-phenoxycarbonyl)-methyl-amino]-cyclohexyl)-benzyl)-1-hydroxy-piperidinium | |
0.00013 | - |
IC50 130 nM | Alicyclobacillus acidocaldarius | allyl-(4-[4-(6-bromo-benzo[d]isothiazol-3-yl)-phenoxy]-but-2-enyl)-methyl-amine | |
0.000141 | - |
IC50 141 nM | Alicyclobacillus acidocaldarius | allyl-(6-[4-(6-bromo-benzo[d]isothiazol-3-yl)-phenoxy]-hexyl)-methyl-amine | |
0.000172 | - |
IC50 172 nM | Alicyclobacillus acidocaldarius | allyl-(6-[4-(4-bromo-phenyl)-1H-benzo[d][1,2]oxazin-7-yloxy]-hexyl)-methyl-amine | |
0.00018 | - |
IC50 180 nM | Alicyclobacillus acidocaldarius | allyl-(6-[3-(4-bromo-phenyl)-1H-indazol-6-yloxy]-hexyl)-methyl-amine | |
0.000186 | - |
IC50 186 nM | Alicyclobacillus acidocaldarius | allyl-(6-[1-(4-bromo-phenyl)-isoquinolin-6-yloxy]-hexyl)-methyl-amine | |
0.000281 | - |
IC50 281 nM | Alicyclobacillus acidocaldarius | allyl-(4-[3-(4-bromo-phenyl)-5-fluoro-1-methyl-1H-indazol-6-yloxy]-but-2-enyl)-methyl-amine | |
0.000289 | - |
IC50 289 nM | Alicyclobacillus acidocaldarius | allyl-(6-[3-(4-bromo-phenyl)-1-methyl-1H-indazol-6-yloxy]-hexyl)-methyl-amine | |
0.000306 | - |
IC50 306 nM | Alicyclobacillus acidocaldarius | allyl-(6-[3-(4-bromo-phenyl)-benzo[d]isothiazol-6-yloxy]-hexyl)-methyl-amine | |
0.000332 | - |
IC50 332 nM | Alicyclobacillus acidocaldarius | allyl-(4-[3-(4-bromo-phenyl)-5-fluoro-1-methyl-1H-indazol-6-yloxy]-but-2-enyl)-methyl-amine | |
0.000406 | - |
IC50 406 nM | Alicyclobacillus acidocaldarius | methyl-[4-(4-piperidin-1-ylmethyl-phenyl)-cyclohexyl]-carbamic acid 4-chloro-phenyl ester | |
0.00076 | - |
IC50 760 nM | Alicyclobacillus acidocaldarius | 4-[6-(cyclopropyl-methyl-amino)-hexyloxy]-piperidin-1-yl-(4-fluoro-phenyl)-methanone | |
0.0012 | - |
IC50 1200 nM | Alicyclobacillus acidocaldarius | 4-[6-(allyl-methyl-amino)-hexyloxy]-piperidin-1-yl-(4-fluoro-phenyl)-methanone | |
0.0028 | - |
IC50 2800 nM | Alicyclobacillus acidocaldarius | (4-chloro-phenyl)-(4-[4-(4,5-dihydro-oxazol-2-yl)-benzylidene]-piperidin-1-yl)-methanone |