2gmv

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Image:2gmv.gif

2gmv, resolution 2.30Å

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PEPCK complex with a GTP-competitive inhibitor

Overview

New modifications on the C-8 4-aminobenzyl unit of the previously reported, 3-alkyl-1,8-dibenzylxanthine inhibitors of cPEPCK are presented. The most, active compound reported here is the, 5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonic acid amide derivative 2 with, an IC(50) of 0.29+/-0.08 microM. An X-ray analysis of a heteroaromatic, sulfonamide is presented showing a new pi-pi interaction.

About this Structure

2GMV is a Single protein structure of sequence from Homo sapiens with , and as ligands. Active as Phosphoenolpyruvate carboxykinase (GTP), with EC number 4.1.1.32 Full crystallographic information is available from OCA.

Reference

C-8 Modifications of 3-alkyl-1,8-dibenzylxanthines as inhibitors of human cytosolic phosphoenolpyruvate carboxykinase., Pietranico SL, Foley LH, Huby N, Yun W, Dunten P, Vermeulen J, Wang P, Toth K, Ramsey G, Gubler ML, Wertheimer SJ, Bioorg Med Chem Lett. 2007 Jul 15;17(14):3835-9. Epub 2007 May 22. PMID:17532214

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