3UZA

Thermostabilised Adenosine A2A receptor in complex with 6-(2,6-Dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine

3UZA の概要

• エントリーDOI: 10.2210/pdb3uza/pdb
• 関連するPDBエントリー: 3PWH 3REY 3RFM 3UZC
• 分子名称: Adenosine receptor A2a, 6-(2,6-dimethylpyridin-4-yl)-5-phenyl-1,2,4-triazin-3-amine (2 entities in total)
• 機能のキーワード: 7tm, gpcr, signaling protein, g-protein, membrane protein
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cell membrane; Multi-pass membrane protein: P29274
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 36756.43

構造登録者

Congreve, M.,Andrews, S.P.,Dore, A.S.,Hollenstein, K.,Hurrell, E.,Langmead, C.J.,Mason, J.S.,Ng, I.W.,Tehan, B.,Zhukov, A.,Weir, M.,Marshall, F.H. (登録日: 2011-12-07, 公開日: 2012-03-21, 最終更新日: 2024-10-30)

主引用文献

Congreve, M.,Andrews, S.P.,Dore, A.S.,Hollenstein, K.,Hurrell, E.,Langmead, C.J.,Mason, J.S.,Ng, I.W.,Tehan, B.,Zhukov, A.,Weir, M.,Marshall, F.H.
Discovery of 1,2,4-Triazine Derivatives as Adenosine A(2A) Antagonists using Structure Based Drug Design
J.Med.Chem., 55:1898-1903, 2012

PubMed Abstract: Potent, ligand efficient, selective, and orally efficacious 1,2,4-triazine derivatives have been identified using structure based drug design approaches as antagonists of the adenosine A(2A) receptor. The X-ray crystal structures of compounds 4e and 4g bound to the GPCR illustrate that the molecules bind deeply inside the orthosteric binding cavity. In vivo pharmacokinetic and efficacy data for compound 4k are presented, demonstrating the potential of this series of compounds for the treatment of Parkinson's disease.

PubMed: 22220592
DOI: 10.1021/jm201376w

実験手法

X-RAY DIFFRACTION (3.273 Å)