1x70

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Revision as of 17:54, 12 November 2007

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spinqualitylabelsall models 1x70, resolution 2.10Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

HUMAN DIPEPTIDYL PEPTIDASE IV IN COMPLEX WITH A BETA AMINO ACID INHIBITOR

Overview

A novel series of beta-amino amides incorporating fused heterocycles, i.e., triazolopiperazines, were synthesized and evaluated as inhibitors of, dipeptidyl peptidase IV (DPP-IV) for the treatment of type 2 diabetes., (2R)-4-Oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin, -7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine (1) is a potent, orally, active DPP-IV inhibitor (IC(50) = 18 nM) with excellent selectivity over, other proline-selective peptidases, oral bioavailability in preclinical, species, and in vivo efficacy in animal models. MK-0431, the phosphate, salt of compound 1, was selected for development as a potential new, treatment for type 2 diabetes.

About this Structure

1X70 is a Single protein structure of sequence from Homo sapiens with NAG, NA and 715 as ligands. Active as Dipeptidyl-peptidase IV, with EC number 3.4.14.5 Full crystallographic information is available from OCA.

Reference

(2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin -7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine: a potent, orally active dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes., Kim D, Wang L, Beconi M, Eiermann GJ, Fisher MH, He H, Hickey GJ, Kowalchick JE, Leiting B, Lyons K, Marsilio F, McCann ME, Patel RA, Petrov A, Scapin G, Patel SB, Roy RS, Wu JK, Wyvratt MJ, Zhang BB, Zhu L, Thornberry NA, Weber AE, J Med Chem. 2005 Jan 13;48(1):141-51. PMID:15634008

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