5CY3

SYK catalytic domain complexed with a potent and orally bioavailable benzisothiazole inhibitor

5CY3 の概要

• エントリーDOI: 10.2210/pdb5cy3/pdb
• 関連するPDBエントリー: 5CXH
• 分子名称: Tyrosine-protein kinase SYK, (5R)-5-[(1R)-1-{[6-(1-methyl-1H-pyrazol-4-yl)-2,1-benzothiazol-4-yl]oxy}ethyl]-1,3-oxazolidin-2-one (3 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: 34200.32

構造登録者

Lee, C.C. (登録日: 2015-07-30, 公開日: 2015-09-23, 最終更新日: 2024-03-06)

主引用文献

Thoma, G.,Veenstra, S.,Strang, R.,Blanz, J.,Vangrevelinghe, E.,Berghausen, J.,Lee, C.C.,Zerwes, H.G.
Orally bioavailable Syk inhibitors with activity in a rat PK/PD model.
Bioorg.Med.Chem.Lett., 25:4642-4647, 2015

PubMed Abstract: Design and optimization of benzo- and pyrido-thiazoles/isothiazoles are reported leading to the discovery of the potent, orally bioavailable Syk inhibitor 5, which was found to be active in a rat PK/PD model. Compound 5 showed acceptable overall kinase selectivity. However, in addition to Syk it also inhibited Aurora kinase in enzymatic and cellular settings leading to findings in the micronucleus assay. As a consequence, compound 5 was not further pursued.

PubMed: 26320624
DOI: 10.1016/j.bmcl.2015.08.037

実験手法

X-RAY DIFFRACTION (1.76 Å)