4RX9

SYK Catalytic Domain Complexed with a Potent Pyrimidine Inhibitor

4RX9 の概要

• エントリーDOI: 10.2210/pdb4rx9/pdb
• 関連するPDBエントリー: 4RX7 4RX8
• 分子名称: Tyrosine-protein kinase SYK, GLYCEROL, 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide, ... (4 entities in total)
• 機能のキーワード: 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: 34293.45

構造登録者

Lee, C.C. (登録日: 2014-12-09, 公開日: 2015-03-18, 最終更新日: 2024-02-28)

主引用文献

Thoma, G.,Smith, A.B.,van Eis, M.J.,Vangrevelinghe, E.,Blanz, J.,Aichholz, R.,Littlewood-Evans, A.,Lee, C.C.,Liu, H.,Zerwes, H.G.
Discovery and profiling of a selective and efficacious syk inhibitor.
J.Med.Chem., 58:1950-1963, 2015

PubMed Abstract: We describe the discovery of selective and potent Syk inhibitor 11, which exhibited favorable PK profiles in rat and dog and was found to be active in a collagen-induced arthritis model in rats. Compound 11 was selected for further profiling, but, unfortunately, in GLP toxicological studies it showed liver findings in rat and dog. Nevertheless, 11 could become a valuable tool compound to investigate the rich biology of Syk in vitro and in vivo.

PubMed: 25633741
DOI: 10.1021/jm5018863

実験手法

X-RAY DIFFRACTION (1.75 Å)