4mf3
From Proteopedia
(Difference between revisions)
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| - | ''' | + | ==Crystal Structure of Human GRIK1 complexed with a 6-(tetrazolyl)aryl decahydroisoquinoline antagonist== |
| + | <StructureSection load='4mf3' size='340' side='right' caption='[[4mf3]], [[Resolution|resolution]] 3.00Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4mf3]] is a 2 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4MF3 OCA]. <br> | ||
| + | </td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=SXI:(3S,4AS,6S,8AR)-6-[3-CHLORO-2-(1H-TETRAZOL-5-YL)PHENOXY]DECAHYDROISOQUINOLINE-3-CARBOXYLIC+ACID'>SXI</scene><br> | ||
| + | <tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span></td></tr> | ||
| + | <tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4mf3 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4mf3 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4mf3 RCSB], [http://www.ebi.ac.uk/pdbsum/4mf3 PDBsum]</span></td></tr> | ||
| + | <table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | We have explored the decahydroisoquinoline scaffold, bearing a phenyl tetrazole, as GluK1 antagonists with potential as oral analgesics. We have established the optimal linker atom between decahydroisoquinoline and phenyl rings and demonstrated an improvement of both the affinity for the GluK1 receptor and the selectivity against the related GluA2 receptor with proper phenyl substitution. In this Letter, we also disclose in vivo data that led to the discovery of LY545694.HCl, a compound with oral efficacy in two persistent pain models. | ||
| - | + | GluK1 antagonists from 6-(tetrazolyl)phenyl decahydroisoquinoline derivatives: in vitro profile and in vivo analgesic efficacy.,Martinez-Perez JA, Iyengar S, Shannon HE, Bleakman D, Alt A, Clawson DK, Arnold BM, Bell MG, Bleisch TJ, Castano AM, Del Prado M, Dominguez E, Escribano AM, Filla SA, Ho KH, Hudziak KJ, Jones CK, Mateo A, Mathes BM, Mattiuz EL, Ogden AM, Simmons RM, Stack DR, Stratford RE, Winter MA, Wu Z, Ornstein PL Bioorg Med Chem Lett. 2013 Dec 1;23(23):6463-6. doi: 10.1016/j.bmcl.2013.09.045. , Epub 2013 Sep 24. PMID:24140446<ref>PMID:24140446</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | + | == References == | |
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Alt, A.]] | ||
| + | [[Category: Arnold, B M.]] | ||
| + | [[Category: Bell, M G.]] | ||
| + | [[Category: Bleakman, D.]] | ||
| + | [[Category: Bleisch, T J.]] | ||
| + | [[Category: Castano, A M.]] | ||
| + | [[Category: Clawson, D K.]] | ||
| + | [[Category: Dominguez, E.]] | ||
| + | [[Category: Escribano, A M.]] | ||
| + | [[Category: Filla, S A.]] | ||
| + | [[Category: Ho, K H.]] | ||
| + | [[Category: Hudziak, K J.]] | ||
| + | [[Category: Iyengar, S.]] | ||
| + | [[Category: Jones, C K.]] | ||
| + | [[Category: Katofiasc, M A.]] | ||
| + | [[Category: Martinez-Perez, J A.]] | ||
| + | [[Category: Mateo, A.]] | ||
| + | [[Category: Mathes, B M.]] | ||
| + | [[Category: Mattiuz, E L.]] | ||
| + | [[Category: Ogden, A M.L.]] | ||
| + | [[Category: Ornstein, P L.]] | ||
| + | [[Category: Phebus, L A.]] | ||
| + | [[Category: Prado, M Del.]] | ||
| + | [[Category: Shannon, H E.]] | ||
| + | [[Category: Simmons, R M.A.]] | ||
| + | [[Category: Stack, D R.]] | ||
| + | [[Category: Stratford, R E.]] | ||
| + | [[Category: Winter, M A.]] | ||
| + | [[Category: Wu, Z.]] | ||
| + | [[Category: Glutamate binding]] | ||
| + | [[Category: Glutamate receptor]] | ||
| + | [[Category: Ligand gated ion channel]] | ||
| + | [[Category: Membrane]] | ||
| + | [[Category: None]] | ||
| + | [[Category: Protein-ligand complex]] | ||
| + | [[Category: Signaling protein]] | ||
Revision as of 08:15, 7 May 2014
Crystal Structure of Human GRIK1 complexed with a 6-(tetrazolyl)aryl decahydroisoquinoline antagonist
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Categories: Alt, A. | Arnold, B M. | Bell, M G. | Bleakman, D. | Bleisch, T J. | Castano, A M. | Clawson, D K. | Dominguez, E. | Escribano, A M. | Filla, S A. | Ho, K H. | Hudziak, K J. | Iyengar, S. | Jones, C K. | Katofiasc, M A. | Martinez-Perez, J A. | Mateo, A. | Mathes, B M. | Mattiuz, E L. | Ogden, A M.L. | Ornstein, P L. | Phebus, L A. | Prado, M Del. | Shannon, H E. | Simmons, R M.A. | Stack, D R. | Stratford, R E. | Winter, M A. | Wu, Z. | Glutamate binding | Glutamate receptor | Ligand gated ion channel | Membrane | None | Protein-ligand complex | Signaling protein
