6msa

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==Novel, potent, selective and brain penetrant phosphodiesterase 10A inhibitors==
==Novel, potent, selective and brain penetrant phosphodiesterase 10A inhibitors==
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<StructureSection load='6msa' size='340' side='right' caption='[[6msa]], [[Resolution|resolution]] 2.06&Aring;' scene=''>
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<StructureSection load='6msa' size='340' side='right'caption='[[6msa]], [[Resolution|resolution]] 2.06&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[6msa]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6MSA OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6MSA FirstGlance]. <br>
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<table><tr><td colspan='2'>[[6msa]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6MSA OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6MSA 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=JY4:7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]cinnoline'>JY4</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.06&#8491;</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=6msa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6msa OCA], [http://pdbe.org/6msa PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=6msa RCSB], [http://www.ebi.ac.uk/pdbsum/6msa PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=6msa ProSAT]</span></td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=JY4:7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]cinnoline'>JY4</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=6msa FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6msa OCA], [https://pdbe.org/6msa PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6msa RCSB], [https://www.ebi.ac.uk/pdbsum/6msa PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6msa ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
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[[http://www.uniprot.org/uniprot/PDE10_HUMAN PDE10_HUMAN]] Plays a role in signal transduction by regulating the intracellular concentration of cyclic nucleotides. Can hydrolyze both cAMP and cGMP, but has higher affinity for cAMP and is more efficient with cAMP as substrate.<ref>PMID:17389385</ref>
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[https://www.uniprot.org/uniprot/PDE10_HUMAN PDE10_HUMAN] Plays a role in signal transduction by regulating the intracellular concentration of cyclic nucleotides. Can hydrolyze both cAMP and cGMP, but has higher affinity for cAMP and is more efficient with cAMP as substrate.<ref>PMID:17389385</ref>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Herein we report the discovery of a novel series of phosphodiesterase 10A inhibitors. Optimization of a HTS hit (17) resulted in potent, selective, and brain penetrant 23 and 26; both exhibited much lower clearance in vivo and decreased volume of distribution (rat PK) and have thus the potential to inhibit the PDE10A target in vivo at a lower efficacious dose than the reference compound WEB-3.
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Novel, potent, selective, and brain penetrant phosphodiesterase 10A inhibitors.,Geneste H, Drescher K, Jakob C, Laplanche L, Ochse M, Torrent M Bioorg Med Chem Lett. 2018 Dec 19. pii: S0960-894X(18)30976-4. doi:, 10.1016/j.bmcl.2018.12.029. PMID:30587449<ref>PMID:30587449</ref>
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==See Also==
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*[[Phosphodiesterase 3D structures|Phosphodiesterase 3D structures]]
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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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<div class="pdbe-citations 6msa" style="background-color:#fffaf0;"></div>
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== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Jakob, C G]]
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[[Category: Homo sapiens]]
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[[Category: Hydrolase]]
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[[Category: Large Structures]]
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[[Category: Phosphodiesterase]]
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[[Category: Jakob CG]]

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Novel, potent, selective and brain penetrant phosphodiesterase 10A inhibitors

PDB ID 6msa

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