2qmg
From Proteopedia
(New page: 200px {{Structure |PDB= 2qmg |SIZE=350|CAPTION= <scene name='initialview01'>2qmg</scene>, resolution 1.890Å |SITE= <scene name='pdbsite=AC1:Sc6+Binding+Site...) |
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|PDB= 2qmg |SIZE=350|CAPTION= <scene name='initialview01'>2qmg</scene>, resolution 1.890Å | |PDB= 2qmg |SIZE=350|CAPTION= <scene name='initialview01'>2qmg</scene>, resolution 1.890Å | ||
|SITE= <scene name='pdbsite=AC1:Sc6+Binding+Site+For+Residue+A+1'>AC1</scene>, <scene name='pdbsite=AC2:Sc6+Binding+Site+For+Residue+B+1'>AC2</scene>, <scene name='pdbsite=AC3:Tar+Binding+Site+For+Residue+A+2'>AC3</scene> and <scene name='pdbsite=AC4:Tar+Binding+Site+For+Residue+B+3'>AC4</scene> | |SITE= <scene name='pdbsite=AC1:Sc6+Binding+Site+For+Residue+A+1'>AC1</scene>, <scene name='pdbsite=AC2:Sc6+Binding+Site+For+Residue+B+1'>AC2</scene>, <scene name='pdbsite=AC3:Tar+Binding+Site+For+Residue+A+2'>AC3</scene> and <scene name='pdbsite=AC4:Tar+Binding+Site+For+Residue+B+3'>AC4</scene> | ||
- | |LIGAND= <scene name='pdbligand=SC6:'>SC6</scene> | + | |LIGAND= <scene name='pdbligand=SC6:N-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-2-YL]ETHYL}-3-{[(2R)-2-(METHOXYMETHYL)PYRROLIDIN-1-YL]CARBONYL}-5-METHYLBENZAMIDE'>SC6</scene>, <scene name='pdbligand=TAR:D(-)-TARTARIC+ACID'>TAR</scene> |
- | |ACTIVITY= [http://en.wikipedia.org/wiki/Memapsin_2 Memapsin 2], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.46 3.4.23.46] | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Memapsin_2 Memapsin 2], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.46 3.4.23.46] </span> |
|GENE= BACE1, BACE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | |GENE= BACE1, BACE ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | ||
+ | |DOMAIN= | ||
+ | |RELATEDENTRY=[[2qk5|2qk5]], [[2qkj|2qkj]], [[2qmd|2qmd]], [[2qmf|2qmf]], [[2qp8|2qp8]] | ||
+ | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2qmg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2qmg OCA], [http://www.ebi.ac.uk/pdbsum/2qmg PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2qmg RCSB]</span> | ||
}} | }} | ||
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[[Category: Iserloh, U.]] | [[Category: Iserloh, U.]] | ||
[[Category: Strickland, C O.]] | [[Category: Strickland, C O.]] | ||
- | [[Category: SC6]] | ||
- | [[Category: TAR]] | ||
[[Category: alternative splicing]] | [[Category: alternative splicing]] | ||
[[Category: aspartyl protease]] | [[Category: aspartyl protease]] | ||
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[[Category: zymogen]] | [[Category: zymogen]] | ||
- | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:50:54 2008'' |
Revision as of 01:50, 31 March 2008
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, resolution 1.890Å | |||||||
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Sites: | , , and | ||||||
Ligands: | , | ||||||
Gene: | BACE1, BACE (Homo sapiens) | ||||||
Activity: | Memapsin 2, with EC number 3.4.23.46 | ||||||
Related: | 2qk5, 2qkj, 2qmd, 2qmf, 2qp8
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Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
Coordinates: | save as pdb, mmCIF, xml |
Structure of BACE Bound to SCH745966
Overview
Based on a lead compound identified from the patent literature, we developed patentably novel BACE-1 inhibitors by introducing a cyclic amine scaffold as embodied by 1a and 1b. Extensive SAR studies assessed a variety of isophthalamide replacements including substituted pyrrolidinones and ultimately led to the identification of 11. Due to its favorable overall profile, 11 has been extensively profiled in various in vivo settings.
About this Structure
2QMG is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Discovery of an orally efficaceous 4-phenoxypyrrolidine-based BACE-1 inhibitor., Iserloh U, Pan J, Stamford AW, Kennedy ME, Zhang Q, Zhang L, Parker EM, McHugh NA, Favreau L, Strickland C, Voigt J, Bioorg Med Chem Lett. 2008 Jan 1;18(1):418-22. Epub 2007 Oct 18. PMID:17980584
Page seeded by OCA on Mon Mar 31 04:50:54 2008