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: 4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2 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 (2.2 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

基于片段X射线晶体学与基于结构药物设计策略，鉴定新型细胞周期蛋白依赖性激酶（Cyclin Dependent Kinase, CDK）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）。
描述项：4-(乙酰氨基)-N-(4-氟苯基)-1H-吡唑-3-甲酰胺，细胞分裂蛋白激酶2（CELL DIVISION PROTEIN KINASE 2, CDK2）。
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（分辨率2.2 Å）
引用文献：《基于片段X射线晶体学与基于结构药物设计策略鉴定新型细胞周期蛋白依赖性激酶抑制剂N-(4-哌啶基)-4-(2,6-二氯苯甲酰氨基)-1H-吡唑-3-甲酰胺（AT7519）》，《J.Med.Chem.》（《药物化学杂志》），第51卷，2008年