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2iit
From Proteopedia
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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 with NAG, NA and 872 as ligands. Active as Dipeptidyl-peptidase IV, with EC number 3.4.14.5 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 Mon Nov 12 22:44:54 2007
