2p8s: Difference between revisions

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[[Image:2p8s.gif|left|200px]]
{{Seed}}
[[Image:2p8s.png|left|200px]]


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{{STRUCTURE_2p8s|  PDB=2p8s  |  SCENE=  }}  
{{STRUCTURE_2p8s|  PDB=2p8s  |  SCENE=  }}  


'''Human dipeptidyl peptidase IV/CD26 in complex with a cyclohexalamine inhibitor'''
===Human dipeptidyl peptidase IV/CD26 in complex with a cyclohexalamine inhibitor===




==Overview==
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Molecular modeling was used to design a rigid analog of sitagliptin 1. The X-ray crystal structure of sitagliptin bound to DPP-4 suggested that the central beta-amino butyl amide moiety could be replaced with a cyclohexylamine group. This was confirmed by structural analysis and the resulting analog 2a was synthesized and found to be a potent DPP-4 inhibitor (IC(50)=21 nM) with excellent in vivo activity and pharmacokinetic profile.
The line below this paragraph, {{ABSTRACT_PUBMED_17433672}}, adds the Publication Abstract to the page
(as it appears on PubMed at http://www.pubmed.gov), where 17433672 is the PubMed ID number.
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{{ABSTRACT_PUBMED_17433672}}


==About this Structure==
==About this Structure==
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[[Category: Dimer]]
[[Category: Dimer]]
[[Category: Structure-based design]]
[[Category: Structure-based design]]
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