2c6t

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[[Category: triazolopyrimidine inhibitor]]
[[Category: triazolopyrimidine inhibitor]]
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Revision as of 19:05, 12 November 2007

Image:2c6t.gif

2c6t, resolution 2.61Å

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CRYSTAL STRUCTURE OF THE HUMAN CDK2 COMPLEXED WITH THE TRIAZOLOPYRIMIDINE INHIBITOR

Overview

Crystallographic and modelling data, in conjunction with a medicinal, chemistry template-hopping approach, led to the identification of a series, of novel and potent inhibitors of human cyclin-dependent kinase 2 (CDK2), with selectivity over glycogen synthase kinase-3beta (GSK-3beta). One, example had a CDK2 IC(50) of 120 nM and showed selectivity over GSK-3beta, of 167-fold.

About this Structure

2C6T is a Protein complex structure of sequences from Homo sapiens with DT5 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.

Reference

Triazolo[1,5-a]pyrimidines as novel CDK2 inhibitors: protein structure-guided design and SAR., Richardson CM, Williamson DS, Parratt MJ, Borgognoni J, Cansfield AD, Dokurno P, Francis GL, Howes R, Moore JD, Murray JB, Robertson A, Surgenor AE, Torrance CJ, Bioorg Med Chem Lett. 2006 Mar 1;16(5):1353-7. Epub 2005 Dec 1. PMID:16325401

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