2pe2

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Image:2pe2.gif

2pe2, resolution 2.13Å

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CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 3-{5-[2-Oxo-5-ureido-1,2-dihydro-indol-(3Z)-ylidenemethyl]-1H-pyrrol-3-yl}-N-(2-piperidin-1-yl-ethyl)-benzamide COMPLEX

Overview

Based on the lead compound BX-517, a series of C-4' substituted, indolinones have been synthesized and evaluated for PDK1 inhibition., Modification at C-4' of the pyrrole afforded potent compounds (7b and 7d), with improved solubility and ADME properties. In this letter, we describe, the synthesis, selectivity profile, and pharmacokinetic data of selected, compounds.

About this Structure

2PE2 is a Single protein structure of sequence from Homo sapiens with SO4, 464 and GOL as ligands. Active as Non-specific serine/threonine protein kinase, with EC number 2.7.11.1 Full crystallographic information is available from OCA.

Reference

Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 2: Optimization of BX-517., Islam I, Brown G, Bryant J, Hrvatin P, Kochanny MJ, Phillips GB, Yuan S, Adler M, Whitlow M, Lentz D, Polokoff MA, Wu J, Shen J, Walters J, Ho E, Subramanyam B, Zhu D, Feldman RI, Arnaiz DO, Bioorg Med Chem Lett. 2007 May 23;. PMID:17544272

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