Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.

Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. Descriptor: CELL DIVISION PROTEIN KINASE 2, PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE Authors: Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. Deposit date: 2008-05-15 Release date: 2008-08-05 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. J.Med.Chem., 51, 2008

本数据集聚焦于通过基于片段的X射线晶体学（Fragment-Based X-Ray Crystallography）与结构导向药物设计（Structure Based Drug Design），发现新型细胞周期蛋白依赖性激酶（Cyclin Dependent Kinase）抑制剂N-(4-哌啶基)-4-(2,6-二氯苯甲酰氨基)-1H-吡唑-3-甲酰胺（AT7519）的相关研究。
描述物：细胞分裂蛋白激酶2，吡唑并[1,5-a]嘧啶-3-甲腈
作者：Wyatt, P.G、Woodhead, A.J、Boulstridge, J.A、Berdini, V、Carr, M.G、Cross, D.M、Danillon, D、Davis, D.J、Devine, L.A、Early, T.R、Feltell, R.E、Lewis, E.J、McMenamin, R.L、Navarro, E.F、O'Brien, M.A、O'Reilly, M、Reule, M、Saxty, G、Seavers, L.C.A、Smith, D、Squires, M.S、Trewartha, G、Walker, M.T、Woolford, A.J
提交日期：2008年5月15日
发布日期：2008年8月5日
最后修改日期：2024年5月1日
实验方法：X射线衍射（X-RAY DIFFRACTION，分辨率2.25埃）
引用文献：《N-(4-哌啶基)-4-(2,6-二氯苯甲酰氨基)-1H-吡唑-3-甲酰胺（AT7519）的发现：一种基于片段X射线晶体学与结构导向药物设计的新型细胞周期蛋白依赖性激酶抑制剂》，《药物化学杂志》（J.Med.Chem.），51卷，2008年