4O6E

Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine Inhibitors of Erk2

4O6E の概要

• エントリーDOI: 10.2210/pdb4o6e/pdb
• 分子名称: Mitogen-activated protein kinase 1, N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-(tetrahydro-2H-pyran-4-ylamino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxamide (3 entities in total)
• 機能のキーワード: protein kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm, cytoskeleton, spindle (By similarity): P28482
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 43096.85

構造登録者

Yin, J.,Wang, W. (登録日: 2013-12-20, 公開日: 2014-05-21, 最終更新日: 2024-02-28)

主引用文献

Blake, J.F.,Gaudino, J.J.,De Meese, J.,Mohr, P.,Chicarelli, M.,Tian, H.,Garrey, R.,Thomas, A.,Siedem, C.S.,Welch, M.B.,Kolakowski, G.,Kaus, R.,Burkard, M.,Martinson, M.,Chen, H.,Dean, B.,Dudley, D.A.,Gould, S.E.,Pacheco, P.,Shahidi-Latham, S.,Wang, W.,West, K.,Yin, J.,Moffat, J.,Schwarz, J.B.
Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2.
Bioorg.Med.Chem.Lett., 24:2635-2639, 2014

PubMed Abstract: The discovery and optimization of a series of tetrahydropyridopyrimidine based extracellular signal-regulated kinase (Erks) inhibitors discovered via HTS and structure based drug design is reported. The compounds demonstrate potent and selective inhibition of Erk2 and knockdown of phospho-RSK levels in HepG2 cells and tumor xenografts.

PubMed: 24813737
DOI: 10.1016/j.bmcl.2014.04.068

実験手法

X-RAY DIFFRACTION (1.95 Å)