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2q70

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[[Image:2q70.jpg|left|200px]]
[[Image:2q70.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 2q70 |SIZE=350|CAPTION= <scene name='initialview01'>2q70</scene>, resolution 1.95&Aring;
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The line below this paragraph, containing "STRUCTURE_2q70", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=DC8:(3AS,4R,9BR)-2,2-DIFLUORO-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-8-OL'>DC8</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY=
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or leave the SCENE parameter empty for the default display.
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|GENE= ESR1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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-->
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|DOMAIN=
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{{STRUCTURE_2q70| PDB=2q70 | SCENE= }}
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|RELATEDENTRY=[[2i0j|2I0J]], [[2pog|2POG]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2q70 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2q70 OCA], [http://www.ebi.ac.uk/pdbsum/2q70 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2q70 RCSB]</span>
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}}
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'''Estrogen receptor alpha ligand-binding domain complxed to a benzopyran ligand'''
'''Estrogen receptor alpha ligand-binding domain complxed to a benzopyran ligand'''
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[[Category: Single protein]]
[[Category: Single protein]]
[[Category: Wang, Y.]]
[[Category: Wang, Y.]]
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[[Category: estrogen receptor]]
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[[Category: Estrogen receptor]]
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[[Category: transcription factor]]
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[[Category: Transcription factor]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 14:27:35 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:45:36 2008''
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Revision as of 11:27, 4 May 2008

Image:2q70.jpg

Template:STRUCTURE 2q70

Estrogen receptor alpha ligand-binding domain complxed to a benzopyran ligand


Overview

Benzopyrans are selective estrogen receptor (ER) beta agonists (SERBAs), which bind the ER subtypes alpha and beta in opposite orientations. Here we describe the syntheses of cyclopentanone and cyclohexanone intermediates for SAR studies of the C-ring on the benzopyran scaffold. Modification of the C-ring disrupts binding to ERalpha, thus improving ERbeta selectivity up to 100-fold. X-ray cocrystal structures confirm previously observed binding modes.

About this Structure

2Q70 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 3: synthesis of cyclopentanone and cyclohexanone intermediates for C-ring modification., Richardson TI, Dodge JA, Durst GL, Pfeifer LA, Shah J, Wang Y, Durbin JD, Krishnan V, Norman BH, Bioorg Med Chem Lett. 2007 Sep 1;17(17):4824-8. Epub 2007 Jun 20. PMID:17614275 Page seeded by OCA on Sun May 4 14:27:35 2008

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