2iit

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[[Image:2iit.gif|left|200px]]
[[Image:2iit.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 2iit |SIZE=350|CAPTION= <scene name='initialview01'>2iit</scene>, resolution 2.35&Aring;
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The line below this paragraph, containing "STRUCTURE_2iit", 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=872:(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-2-ONE'>872</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=NDG:2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE'>NDG</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/Dipeptidyl-peptidase_IV Dipeptidyl-peptidase IV], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.14.5 3.4.14.5] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE= DPP4, ADCP2, CD26 ([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_2iit| PDB=2iit | SCENE= }}
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|RELATEDENTRY=[[2iiv|2IIV]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2iit FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2iit OCA], [http://www.ebi.ac.uk/pdbsum/2iit PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2iit RCSB]</span>
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}}
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'''Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor'''
'''Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor'''
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[[Category: Scapin, G.]]
[[Category: Scapin, G.]]
[[Category: Weber, A E.]]
[[Category: Weber, A E.]]
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[[Category: alpha/beta]]
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[[Category: Alpha/beta]]
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[[Category: beta-propeller]]
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[[Category: Beta-propeller]]
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[[Category: dimer]]
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[[Category: Dimer]]
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[[Category: hydrolase]]
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[[Category: Hydrolase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 07:33:20 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:44:58 2008''
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Revision as of 04:33, 4 May 2008

Image:2iit.gif

Template:STRUCTURE 2iit

Human dipeptidyl peptidase 4 in complex with a diazepan-2-one inhibitor


Overview

Replacement of the triazolopiperazine ring of sitagliptin (DPP-4 IC(50)=18nM) with 3-(2,2,2-trifluoroethyl)-1,4-diazepan-2-one gave dipeptidyl peptidase IV (DPP-4) inhibitor 1 which is potent (DPP-4 IC(50)=2.6nM), selective, and efficacious in an oral glucose tolerance test in mice. It was selected for extensive preclinical development as a potential back-up candidate to sitagliptin.

About this Structure

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

Reference

(3R)-4-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(2,2,2-trifluoro ethyl)-1,4-diazepan-2-one, a selective dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes., Biftu T, Feng D, Qian X, Liang GB, Kieczykowski G, Eiermann G, He H, Leiting B, Lyons K, Petrov A, Sinha-Roy R, Zhang B, Scapin G, Patel S, Gao YD, Singh S, Wu J, Zhang X, Thornberry NA, Weber AE, Bioorg Med Chem Lett. 2007 Jan 1;17(1):49-52. Epub 2006 Oct 5. PMID:17055272 Page seeded by OCA on Sun May 4 07:33:20 2008

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OCA

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