2c6e

File:2c6e.gif

spinqualitylabelsall models 2c6e, resolution 2.1Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image

AURORA A KINASE ACTIVATED MUTANT (T287D) IN COMPLEX WITH A 5-AMINOPYRIMIDINYL QUINAZOLINE INHIBITOR

OverviewOverview

A novel series of 5-aminopyrimidinyl quinazolines has been developed from, anilino-quinazoline 1, which was identified in a high throughput screen, for Aurora A. Introduction of the pyrimidine ring and optimisation of the, substituents both on this ring and at the C7 position of the quinazoline, led to the discovery of compounds that are highly specific Aurora kinase, inhibitors. Co-crystallisation of one of these inhibitors with a fragment, of Aurora A shows the importance of the benzamido group in achieving, selectivity.

About this StructureAbout this Structure

2C6E is a Single protein structure of sequence from Homo sapiens with HPM as ligand. Active as Transferred entry: 2.7.11.1, with EC number 2.7.1.37 Structure known Active Site: AC1. Full crystallographic information is available from OCA.

ReferenceReference

SAR and inhibitor complex structure determination of a novel class of potent and specific Aurora kinase inhibitors., Heron NM, Anderson M, Blowers DP, Breed J, Eden JM, Green S, Hill GB, Johnson T, Jung FH, McMiken HH, Mortlock AA, Pannifer AD, Pauptit RA, Pink J, Roberts NJ, Rowsell S, Bioorg Med Chem Lett. 2006 Mar 1;16(5):1320-3. Epub 2005 Dec 5. PMID:16337122

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