3wi2: Difference between revisions
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==Crystal structure of PDE10A in complex with inhibitor== | ==Crystal structure of PDE10A in complex with inhibitor== | ||
<StructureSection load='3wi2' size='340' side='right' caption='[[3wi2]], [[Resolution|resolution]] 2.26Å' scene=''> | <StructureSection load='3wi2' size='340' side='right' caption='[[3wi2]], [[Resolution|resolution]] 2.26Å' scene=''> | ||
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</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=P98:2-({[1-PHENYL-2-(PROPAN-2-YL)-1H-BENZIMIDAZOL-6-YL]OXY}METHYL)QUINOLINE'>P98</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr> | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=P98:2-({[1-PHENYL-2-(PROPAN-2-YL)-1H-BENZIMIDAZOL-6-YL]OXY}METHYL)QUINOLINE'>P98</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr> | ||
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">PDE10A ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr> | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">PDE10A ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=3wi2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wi2 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3wi2 RCSB], [http://www.ebi.ac.uk/pdbsum/3wi2 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=3wi2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wi2 OCA], [http://pdbe.org/3wi2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3wi2 RCSB], [http://www.ebi.ac.uk/pdbsum/3wi2 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3wi2 ProSAT]</span></td></tr> | ||
</table> | </table> | ||
== Function == | == Function == | ||
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
</div> | </div> | ||
<div class="pdbe-citations 3wi2" style="background-color:#fffaf0;"></div> | |||
==See Also== | ==See Also== | ||
Revision as of 11:41, 5 August 2016
Crystal structure of PDE10A in complex with inhibitorCrystal structure of PDE10A in complex with inhibitor
Structural highlights
Function[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.[1] Publication Abstract from PubMedA novel class of phosphodiesterase 10A (PDE10A) inhibitors with reduced CYP1A2 inhibition were designed and synthesized starting from 2-{[(1-phenyl-1H-benzimidazol-6-yl)oxy]methyl}quinoline (1). Introduction of an isopropyl group at the 2-position and a methoxy group at the 5-position of the benzimidazole ring of lead compound 1 resulted in the identification of 2-{[(2-isopropyl-5-methoxy-1-phenyl-1H-benzimidazol-6-yl)oxy]methyl}quinoline (25b), which exhibited potent PDE10A inhibitory activity with reduced CYP1A2 inhibitory activity compared to compound 1. Design and synthesis of novel benzimidazole derivatives as phosphodiesterase 10A inhibitors with reduced CYP1A2 inhibition.,Hamaguchi W, Masuda N, Isomura M, Miyamoto S, Kikuchi S, Amano Y, Honbou K, Mihara T, Watanabe T Bioorg Med Chem. 2013 Dec 15;21(24):7612-23. doi: 10.1016/j.bmc.2013.10.035. Epub, 2013 Oct 31. PMID:24238902[2] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See AlsoReferences
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