4r95
From Proteopedia
(Difference between revisions)
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<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=4r95 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4r95 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4r95 RCSB], [http://www.ebi.ac.uk/pdbsum/4r95 PDBsum]</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=4r95 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4r95 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4r95 RCSB], [http://www.ebi.ac.uk/pdbsum/4r95 PDBsum]</span></td></tr> | ||
</table> | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | The synthesis of a series of iminoheterocycles and their structure-activity relationships (SAR) as inhibitors of the aspartyl protease BACE1 will be detailed. An effort to access the S3 subsite directly from the S1 subsite initially yielded compounds with sub-micromolar potency. A subset of compounds from this effort unexpectedly occupied a different binding site and displayed excellent BACE1 affinities. Select compounds from this subset acutely lowered Abeta40 levels upon subcutaneous and oral administration to rats. | ||
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| + | Discovery of potent iminoheterocycle BACE1 inhibitors.,Caldwell JP, Mazzola RD, Durkin J, Chen J, Chen X, Favreau L, Kennedy M, Kuvelkar R, Lee J, McHugh N, McKittrick B, Orth P, Stamford A, Strickland C, Voigt J, Wang L, Zhang L, Zhang Q, Zhu Z Bioorg Med Chem Lett. 2014 Oct 23;24(23):5455-5459. doi:, 10.1016/j.bmcl.2014.10.006. PMID:25455483<ref>PMID:25455483</ref> | ||
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| + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
| + | </div> | ||
| + | == References == | ||
| + | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: Memapsin 2]] | [[Category: Memapsin 2]] | ||
| - | [[Category: Caldwell, J P | + | [[Category: Caldwell, J P]] |
| - | [[Category: Orth, P | + | [[Category: Orth, P]] |
| - | [[Category: Strickland, C | + | [[Category: Strickland, C]] |
[[Category: Aspartic protease]] | [[Category: Aspartic protease]] | ||
[[Category: Hydrolase-hydrolase inhibitor complex]] | [[Category: Hydrolase-hydrolase inhibitor complex]] | ||
Revision as of 10:07, 17 December 2014
BACE-1 in complex with 2-(((1R,3S)-3-(((R)-4-(2-cyclohexylethyl)-2-iminio-1-methyl-5-oxoimidazolidin-4-yl)methyl)cyclohexyl)amino)quinolin-1-ium
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