4I0R

Crystal structure of spleen tyrosine kinase complexed with 2-(3,4,5-Trimethoxy-phenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide

4I0R の概要

• エントリーDOI: 10.2210/pdb4i0r/pdb
• 関連するPDBエントリー: 4I0S 4I0T
• 分子名称: Tyrosine-protein kinase SYK, N-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (3 entities in total)
• 機能のキーワード: kinase inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34254.41

構造登録者

Kuglstatter, A.,Villasenor, A.G. (登録日: 2012-11-19, 公開日: 2013-10-30, 最終更新日: 2023-09-20)

主引用文献

Padilla, F.,Bhagirath, N.,Chen, S.,Chiao, E.,Goldstein, D.M.,Hermann, J.C.,Hsu, J.,Kennedy-Smith, J.J.,Kuglstatter, A.,Liao, C.,Liu, W.,Lowrie, L.E.,Luk, K.C.,Lynch, S.M.,Menke, J.,Niu, L.,Owens, T.D.,O-Yang, C.,Railkar, A.,Schoenfeld, R.C.,Slade, M.,Steiner, S.,Tan, Y.C.,Villasenor, A.G.,Wang, C.,Wanner, J.,Xie, W.,Xu, D.,Zhang, X.,Zhou, M.,Lucas, M.C.
Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56:1677-1692, 2013

PubMed Abstract: We describe the discovery of several pyrrolopyrazines as potent and selective Syk inhibitors and the efforts that eventually led to the desired improvements in physicochemical properties and human whole blood potencies. Ultimately, our mouse model revealed unexpected toxicity that precluded us from further advancing this series.

PubMed: 23350847
DOI: 10.1021/jm301720p

実験手法

X-RAY DIFFRACTION (2.1 Å)