2o8h

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[[Image:2o8h.gif|left|200px]]
[[Image:2o8h.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 2o8h |SIZE=350|CAPTION= <scene name='initialview01'>2o8h</scene>, resolution 1.800&Aring;
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The line below this paragraph, containing "STRUCTURE_2o8h", 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=227:6,7-DIMETHOXY-4-{8-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]-3,4-DIHYDROISOQUINOLIN-2(1H)-YL}QUINAZOLINE'>227</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</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= <span class='plainlinks'>[http://en.wikipedia.org/wiki/3',5'-cyclic-nucleotide_phosphodiesterase 3',5'-cyclic-nucleotide phosphodiesterase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.1.4.17 3.1.4.17] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE= Pde10a, PDE10A ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=10116 Rattus norvegicus])
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-->
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|DOMAIN=
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{{STRUCTURE_2o8h| PDB=2o8h | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2o8h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2o8h OCA], [http://www.ebi.ac.uk/pdbsum/2o8h PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2o8h RCSB]</span>
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}}
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'''Crystal structure of the catalytic domain of rat phosphodiesterase 10A'''
'''Crystal structure of the catalytic domain of rat phosphodiesterase 10A'''
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[[Category: Marr, E S.]]
[[Category: Marr, E S.]]
[[Category: Pandit, J.]]
[[Category: Pandit, J.]]
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[[Category: phosphodiesterase 10a]]
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[[Category: Phosphodiesterase 10a]]
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[[Category: zn-binding site]]
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[[Category: Zn-binding site]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 10:27:08 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:14:14 2008''
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Revision as of 07:27, 4 May 2008

Image:2o8h.gif

Template:STRUCTURE 2o8h

Crystal structure of the catalytic domain of rat phosphodiesterase 10A


Overview

A papaverine based pharmacophore model for PDE10A inhibition was generated via SBDD and used to design a library of 4-amino-6,7-dimethoxyquinazolines. From this library emerged an aryl ether pyrrolidyl 6,7-dimethoxyquinazoline series that became the focal point for additional modeling, X-ray, and synthetic efforts toward increasing PDE10A inhibitory potency and selectivity versus PDE3A/B. These efforts culminated in the discovery of 29, a potent and selective brain penetrable inhibitor of PDE10A.

About this Structure

2O8H is a Single protein structure of sequence from Rattus norvegicus. Full crystallographic information is available from OCA.

Reference

Discovery of a series of 6,7-dimethoxy-4-pyrrolidylquinazoline PDE10A inhibitors., Chappie TA, Humphrey JM, Allen MP, Estep KG, Fox CB, Lebel LA, Liras S, Marr ES, Menniti FS, Pandit J, Schmidt CJ, Tu M, Williams RD, Yang FV, J Med Chem. 2007 Jan 25;50(2):182-5. PMID:17228859 Page seeded by OCA on Sun May 4 10:27:08 2008

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OCA

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