4DFN

Crystal structure of spleen tyrosine kinase complexed with an adamantylpyrazine inhibitor

4DFN の概要

• エントリーDOI: 10.2210/pdb4dfn/pdb
• 関連するPDBエントリー: 4DFL
• 分子名称: Tyrosine-protein kinase SYK, 3-amino-6-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]-N-[(1R,2r,3S,5s,7s)-5-hydroxyadamantan-2-yl]pyrazine-2-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: Cell membrane : P43405
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 32243.20

構造登録者

Lopez, M.,Segarra, V.,Vidal, B.,Wenzkowski, C.,Jestel, A.,Krapp, S.,Blaesse, M.,Nagel, S.,Schreiner, P. (登録日: 2012-01-24, 公開日: 2012-04-25, 最終更新日: 2024-02-28)

主引用文献

Forns, P.,Esteve, C.,Taboada, L.,Alonso, J.A.,Orellana, A.,Maldonado, M.,Carreno, C.,Ramis, I.,Lopez, M.,Miralpeix, M.,Vidal, B.
Pyrazine-based Syk kinase inhibitors.
Bioorg.Med.Chem.Lett., 22:2784-2788, 2012

PubMed Abstract: A series of aminopyrazines as inhibitors of Syk kinase activity and showing inhibition of LAD2 cells degranulation is described. Optimization of the carboxamide motif with aminomethylpiperidines provided high potency inhibiting Syk but low cellular activity. Amides of cis and trans adamantanol showed good inhibitory activity against Syk as well as remarkable activity in LAD2 cells degranulation assay.

PubMed: 22425453
DOI: 10.1016/j.bmcl.2012.02.087

実験手法

X-RAY DIFFRACTION (2.48 Å)