2fl6

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Revision as of 20:00, 12 November 2007

Image:2fl6.gif

crystal structure of KSP in complex with inhibitor 6

Overview

The evolution of 2,4-diaryl-2,5-dihydropyrroles as inhibitors of KSP is, described. Introduction of basic amide and urea moieties to the, dihydropyrrole nucleus enhanced potency and aqueous solubility, simultaneously, and provided compounds that caused mitotic arrest of A2780, human ovarian carcinoma cells with EC(50)s<10nM. Ancillary hERG activity, was evaluated for this series of inhibitors.

About this Structure

2FL6 is a Single protein structure of sequence from Homo sapiens with MG, ADP and N5T as ligands. Full crystallographic information is available from OCA.

Reference

Kinesin spindle protein (KSP) inhibitors. Part 2: the design, synthesis, and characterization of 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP., Fraley ME, Garbaccio RM, Arrington KL, Hoffman WF, Tasber ES, Coleman PJ, Buser CA, Walsh ES, Hamilton K, Fernandes C, Schaber MD, Lobell RB, Tao W, South VJ, Yan Y, Kuo LC, Prueksaritanont T, Shu C, Torrent M, Heimbrook DC, Kohl NE, Huber HE, Hartman GD, Bioorg Med Chem Lett. 2006 Apr 1;16(7):1775-9. Epub 2006 Jan 24. PMID:16439123

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