4GG5

Crystal structure of CMET in complex with novel inhibitor

4GG5 の概要

• エントリーDOI: 10.2210/pdb4gg5/pdb
• 関連するPDBエントリー: 4GG7
• 分子名称: Hepatocyte growth factor receptor, 3-(4-methylpiperazin-1-yl)-N-(3-nitrobenzyl)-7-(trifluoromethyl)quinolin-5-amine (3 entities in total)
• 機能のキーワード: cmet inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Membrane; Single-pass type I membrane protein. Isoform 3: Secreted: P08581
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 36479.03

構造登録者

Liu, Q.F.,Chen, T.T.,Xu, Y.C. (登録日: 2012-08-05, 公開日: 2012-10-03, 最終更新日: 2024-02-28)

主引用文献

Wu, K.,Ai, J.,Liu, Q.,Chen, T.,Zhao, A.,Peng, X.,Wang, Y.,Ji, Y.,Yao, Q.,Xu, Y.,Geng, M.,Zhang, A.
Multisubstituted quinoxalines and pyrido[2,3-d]pyrimidines: Synthesis and SAR study as tyrosine kinase c-Met inhibitors.
Bioorg.Med.Chem.Lett., 22:6368-6372, 2012

PubMed Abstract: Two series of new analogues were designed by replacing the quinoline scaffold of our earlier lead 2 (zgw-atinib) with quinoxaline and pyrido[2,3-d]pyrimidine frameworks. Moderate c-Met inhibitory activity was observed in the quinoxaline series. Among the pyrido[2,3-d]pyrimidine series, compounds 13a-c possessing an O-linkage were inactive, whilst the N-linked analogues 15a-c retained c-Met inhibitory potency. Highest activity was observed in the 3-nitrobenzyl analog 15b that showed an IC(50) value of 6.5 nM. Further structural modifications based on this compound were undergoing.

PubMed: 22985853
DOI: 10.1016/j.bmcl.2012.08.075

実験手法

X-RAY DIFFRACTION (2.423 Å)