4exg
From Proteopedia
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| - | [[ | + | ==Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors== |
| + | <StructureSection load='4exg' size='340' side='right' caption='[[4exg]], [[Resolution|resolution]] 1.80Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4exg]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4EXG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4EXG FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=916:N-[(2S,3R)-4-{[(4S)-6-(2,2-DIMETHYLPROPYL)-2,2-DIMETHYL-3,4-DIHYDRO-2H-THIENO[2,3-B]PYRAN-4-YL]AMINO}-3-HYDROXY-1-PHENYLBUTAN-2-YL]ACETAMIDE'>916</scene></td></tr> | ||
| + | <tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4ewo|4ewo]]</td></tr> | ||
| + | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">BACE1, BACE, KIAA1149 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr> | ||
| + | <tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Memapsin_2 Memapsin 2], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.46 3.4.23.46] </span></td></tr> | ||
| + | <tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4exg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4exg OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4exg RCSB], [http://www.ebi.ac.uk/pdbsum/4exg PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | A set of low molecular weight compounds containing a hydroxyethylamine (HEA) core structure with different prime side alkyl substituted 4,5,6,7-tetrahydrobenzazoles and one 4,5,6,7-tetrahydropyridinoazole was synthesized. Striking differences were observed on potencies in the BACE-1 enzymatic and cellular assays depending on the nature of the heteroatoms in the bicyclic ring, from the low active compound 4 to inhibitor 6, displaying BACE-1 IC(50) values of 44 nM (enzyme assay) and 65 nM (cell-based assay). | ||
| - | + | Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates.,Sund C, Belda O, Borkakoti N, Lindberg J, Derbyshire D, Vrang L, Hamelink E, Ahgren C, Woestenenk E, Wikstrom K, Eneroth A, Lindstrom E, Kalayanov G Bioorg Med Chem Lett. 2012 Nov 1;22(21):6721-7. doi: 10.1016/j.bmcl.2012.08.097. , Epub 2012 Sep 5. PMID:23010268<ref>PMID:23010268</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| + | </div> | ||
| - | + | ==See Also== | |
| - | + | *[[Beta secretase|Beta secretase]] | |
| - | == | + | == References == |
| - | [[ | + | <references/> |
| - | [[Category: | + | __TOC__ |
| + | </StructureSection> | ||
| + | [[Category: Human]] | ||
[[Category: Memapsin 2]] | [[Category: Memapsin 2]] | ||
| - | [[Category: Borkakoti, N | + | [[Category: Borkakoti, N]] |
| - | [[Category: Derbyshire, D | + | [[Category: Derbyshire, D]] |
| - | [[Category: Lindberg, J | + | [[Category: Lindberg, J]] |
[[Category: Aspartyl protease]] | [[Category: Aspartyl protease]] | ||
[[Category: Bace]] | [[Category: Bace]] | ||
Revision as of 15:03, 9 December 2014
Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors
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