3DTW

Crystal structure of the VEGFR2 kinase domain in complex with a benzisoxazole inhibitor

3DTW の概要

• エントリーDOI: 10.2210/pdb3dtw/pdb
• 分子名称: Vascular endothelial growth factor receptor 2, 6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide (3 entities in total)
• 機能のキーワード: angiogenesis, receptor tyrosine kinase, transferase
• 由来する生物種: Homo sapiens (human); 詳細
• 細胞内の位置: Cell junction . Isoform 1: Cell membrane; Single-pass type I membrane protein. Isoform 2: Secreted . Isoform 3: Secreted: P35968
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 73436.71

構造登録者

Whittington, D.A.,Long, A.M.,Rose, P.,Gu, Y.,Zhao, H. (登録日: 2008-07-16, 公開日: 2008-09-09, 最終更新日: 2024-11-13)

主引用文献

Kunz, R.K.,Rumfelt, S.,Chen, N.,Zhang, D.,Tasker, A.S.,Burli, R.,Hungate, R.,Yu, V.,Nguyen, Y.,Whittington, D.A.,Meagher, K.L.,Plant, M.,Tudor, Y.,Schrag, M.,Xu, Y.,Ng, G.Y.,Hu, E.
Discovery of amido-benzisoxazoles as potent c-Kit inhibitors.
Bioorg.Med.Chem.Lett., 18:5115-5117, 2008

PubMed Abstract: Deregulation of the receptor tyrosine kinase c-Kit is associated with an increasing number of human diseases, including certain cancers and mast cell diseases. Interference of c-Kit signaling with multi-kinase inhibitors has been shown clinically to successfully treat gastrointestinal stromal tumors and mastocytosis. Targeted therapy of c-Kit activity may provide therapeutic advantages against off-target effects for non-oncology applications. A new structural class of c-Kit inhibitors is described, including in vitro c-Kit potency, kinase selectivity, and the observed binding mode.

PubMed: 18723346
DOI: 10.1016/j.bmcl.2008.07.111

実験手法

X-RAY DIFFRACTION (2.9 Å)