3VAP

Synthesis and SAR Studies of imidazo-[1,2-a]-pyrazine Aurora kinase inhibitors with improved off target kinase selectivity

3VAP の概要

• エントリーDOI: 10.2210/pdb3vap/pdb
• 分子名称: Aurora kinase A, 3-(1-{2-[(3-fluoropyridinium-4-yl)amino]-2-oxoethyl}-1H-pyrazol-4-yl)-6-methyl-8-[(3-{[(1R,3R)-3-methylpiperidinium-1-yl]methyl}-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-1-ium (2 entities in total)
• 機能のキーワード: kinase, cell cycle, inhibitor, transferase, 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, centrosome: O14965
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 32003.82

構造登録者

Voss, M.E.,Rainka, M.P.,Fleming, M.,Peterson, L.H.,Belanger, D.B.,Siddiqui, M.A.,Hruza, A.,Voigt, J.,Basso, A.D.,Gray, K. (登録日: 2011-12-29, 公開日: 2012-05-02, 最終更新日: 2024-02-28)

• 主引用文献: Voss, M.E.,Rainka, M.P.,Fleming, M.,Peterson, L.H.,Belanger, D.B.,Siddiqui, M.A.,Hruza, A.,Voigt, J.,Gray, K.,Basso, A.D.; Synthesis and SAR studies of imidazo-[1,2-a]-pyrazine Aurora kinase inhibitors with improved off-target kinase selectivity.; Bioorg.Med.Chem.Lett., 22:3544-3549, 2012; PubMed: 22503250; DOI: 10.1016/j.bmcl.2012.03.051

実験手法

X-RAY DIFFRACTION (2.66 Å)