4BRX

Focal Adhesion Kinase catalytic domain in complex with a diarylamino- 1,3,5-triazine inhibitor

4BRX の概要

• エントリーDOI: 10.2210/pdb4brx/pdb
• 分子名称: FOCAL ADHESION KINASE 1, 2-(4-(2-methoxy-4-morpholinophenylamino)-1,3,5-triazin-2-ylamino)-N-methylbenzamide, SULFATE ION, ... (4 entities in total)
• 機能のキーワード: transferase, kinase inhibitor, atp-binding, integrin signaling
• 由来する生物種: GALLUS GALLUS (CHICKEN)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 32263.35

構造登録者

Le Coq, J.,Lietha, D. (登録日: 2013-06-05, 公開日: 2013-07-24, 最終更新日: 2023-12-20)

主引用文献

Dao, P.,Jarray, R.,Le Coq, J.,Lietha, D.,Loukaci, A.,Lepelletier, Y.,Hadj-Slimane, R.,Garbay, C.,Raynaud, F.,Chen, H.
Synthesis of Novel Diarylamino-1,3,5-Triazine Derivatives as Fak Inhibitors with Anti-Angiogenic Activity.
Bioorg.Med.Chem.Lett., 23:4552-, 2013

PubMed Abstract: We report herein the synthesis of novel diarylamino-1,3,5-triazine derivatives as FAK (focal adhesion kinase) inhibitors and the evaluation of their anti-angiogenic activity on HUVEC cells. Generally, the effects of these compounds on endothelial cells could be correlated with their kinase inhibitory activity. The most efficient compounds displayed inhibition of viability against HUVEC cells in the micromolar range, as observed with TAE-226, which was designed by Novartis Pharma AG. X-ray crystallographic analysis of the co-crystal structure for compound 34 revealed that the mode of interaction with the FAK kinase domain is highly similar to that observed in the complex of TAE-226.

PubMed: 23845217
DOI: 10.1016/J.BMCL.2013.06.038

実験手法

X-RAY DIFFRACTION (2.05 Å)