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2hhn

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[[Image:2hhn.jpg|left|200px]]
[[Image:2hhn.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 2hhn |SIZE=350|CAPTION= <scene name='initialview01'>2hhn</scene>, resolution 1.55&Aring;
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The line below this paragraph, containing "STRUCTURE_2hhn", 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=GNQ:N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE'>GNQ</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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/Cathepsin_S Cathepsin S], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.27 3.4.22.27] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE= CTSS ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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-->
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|DOMAIN=
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{{STRUCTURE_2hhn| PDB=2hhn | SCENE= }}
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|RELATEDENTRY=[[2hh5|2HH5]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2hhn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2hhn OCA], [http://www.ebi.ac.uk/pdbsum/2hhn PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2hhn RCSB]</span>
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}}
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'''Cathepsin S in complex with non covalent arylaminoethyl amide.'''
'''Cathepsin S in complex with non covalent arylaminoethyl amide.'''
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[[Category: Spraggon, G.]]
[[Category: Spraggon, G.]]
[[Category: Tully, D C.]]
[[Category: Tully, D C.]]
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[[Category: arylaminoethyl amide]]
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[[Category: Arylaminoethyl amide]]
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[[Category: cathepsin s]]
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[[Category: Cathepsin s]]
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[[Category: inhibition]]
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[[Category: Inhibition]]
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[[Category: noncovalent]]
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[[Category: Noncovalent]]
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[[Category: protease]]
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[[Category: Protease]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 06:18:22 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:30:35 2008''
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Revision as of 03:18, 4 May 2008

Image:2hhn.jpg

Template:STRUCTURE 2hhn

Cathepsin S in complex with non covalent arylaminoethyl amide.


Overview

The synthesis and structure-activity relationship of a series of arylaminoethyl amide cathepsin S inhibitors are reported. Optimization of P3 and P2 groups to improve overall physicochemical properties resulted in significant improvements in oral bioavailability over early lead compounds. An X-ray structure of compound 37 bound to the active site of cathepsin S is also reported.

About this Structure

2HHN is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers., Tully DC, Liu H, Chatterjee AK, Alper PB, Epple R, Williams JA, Roberts MJ, Woodmansee DH, Masick BT, Tumanut C, Li J, Spraggon G, Hornsby M, Chang J, Tuntland T, Hollenbeck T, Gordon P, Harris JL, Karanewsky DS, Bioorg Med Chem Lett. 2006 Oct 1;16(19):5112-7. Epub 2006 Jul 28. PMID:16876402 Page seeded by OCA on Sun May 4 06:18:22 2008

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