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-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-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 (1.68 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

本研究采用基于片段的X射线晶体学（Fragment-Based X-Ray Crystallography）与基于结构的药物设计（Structure-Based Drug Design）方法，鉴定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）。化合物表征：4-{[(2,6-二氟苯基)羰基]氨基}-N-[(3S)-哌啶-3-基]-1H-吡唑-3-甲酰胺，细胞分裂蛋白激酶2（CELL DIVISION PROTEIN KINASE 2）。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：2008-05-15。发布日期：2008-08-05。最后修改日期：2024-05-01。实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.68埃。引用文献：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