3r91

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[[Image:3r91.png|left|200px]]
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==Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity.==
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<StructureSection load='3r91' size='340' side='right' caption='[[3r91]], [[Resolution|resolution]] 1.58&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3r91]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3R91 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3R91 FirstGlance]. <br>
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=06H:(6S)-4,6,15,15,18-PENTAMETHYL-5,17-DIOXO-2,3,4,5,6,7,14,15,16,17-DECAHYDRO-1H-12,8-(METHENO)[1,4,9]TRIAZACYCLOTETRADECINO[9,8-A]INDOLE-9-CARBOXAMIDE'>06H</scene></td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">HSP90A, HSP90AA1, HSPC1, HSPCA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])</td></tr>
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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=3r91 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3r91 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3r91 RCSB], [http://www.ebi.ac.uk/pdbsum/3r91 PDBsum]</span></td></tr>
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</table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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A novel series of macrocyclic ortho-aminobenzamide Hsp90 inhibitors is reported. In continuation of our research in this area, macrocyclic amides and lactams were explored to reduce the risk of hERG liabilities. This effort culminated in the discovery of compound 38, which showed a favorable in vitro profile, and efficiently suppressed proliferation of several relevant cell lines. This compound showed prolonged Hsp90-inhibitory activity at least 24h post-administration, consistent with elevated and prolonged exposure in the tumor.
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{{STRUCTURE_3r91| PDB=3r91 | SCENE= }}
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Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity.,Zapf CW, Bloom JD, McBean JL, Dushin RG, Nittoli T, Otteng M, Ingalls C, Golas JM, Liu H, Lucas J, Boschelli F, Hu Y, Vogan E, Levin JI Bioorg Med Chem Lett. 2011 Apr 5. PMID:21515049<ref>PMID:21515049</ref>
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===Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity.===
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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{{ABSTRACT_PUBMED_21515049}}
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==About this Structure==
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[[3r91]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3R91 OCA].
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==See Also==
==See Also==
*[[Heat Shock Proteins|Heat Shock Proteins]]
*[[Heat Shock Proteins|Heat Shock Proteins]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:021515049</ref><references group="xtra"/>
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__TOC__
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</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Bloom, J D.]]
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[[Category: Bloom, J D]]
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[[Category: Boschelli, F.]]
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[[Category: Boschelli, F]]
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[[Category: Dushin, R G.]]
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[[Category: Dushin, R G]]
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[[Category: Golas, J M.]]
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[[Category: Golas, J M]]
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[[Category: Hu, Y.]]
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[[Category: Hu, Y]]
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[[Category: Ingalls, C.]]
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[[Category: Ingalls, C]]
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[[Category: Levin, J I.]]
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[[Category: Levin, J I]]
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[[Category: Liu, H.]]
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[[Category: Liu, H]]
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[[Category: Lucas, J.]]
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[[Category: Lucas, J]]
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[[Category: McBean, J L.]]
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[[Category: McBean, J L]]
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[[Category: Nittoli, T.]]
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[[Category: Nittoli, T]]
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[[Category: Otteng, M.]]
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[[Category: Otteng, M]]
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[[Category: Vogan, E.]]
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[[Category: Vogan, E]]
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[[Category: Zapf, C W.]]
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[[Category: Zapf, C W]]
[[Category: Atp binding domain]]
[[Category: Atp binding domain]]
[[Category: Atp-binding]]
[[Category: Atp-binding]]

Revision as of 12:37, 9 December 2014

Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity.

3r91, resolution 1.58Å

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