3TGE

A novel series of potent and selective PDE5 inhibitor1

3TGE の概要

• エントリーDOI: 10.2210/pdb3tge/pdb
• 関連するPDBエントリー: 3TGG
• 分子名称: cGMP-specific 3',5'-cyclic phosphodiesterase, ZINC ION, MAGNESIUM ION, ... (5 entities in total)
• 機能のキーワード: hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (human); 詳細
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 38168.47

構造登録者

Han, S. (登録日: 2011-08-17, 公開日: 2011-11-09, 最終更新日: 2024-02-28)

主引用文献

Hughes, R.O.,Maddux, T.,Joseph Rogier, D.,Lu, S.,Walker, J.K.,Jon Jacobsen, E.,Rumsey, J.M.,Zheng, Y.,Macinnes, A.,Bond, B.R.,Han, S.
Investigation of the pyrazinones as PDE5 inhibitors: Evaluation of regioisomeric projections into the solvent region.
Bioorg.Med.Chem.Lett., 21:6348-6352, 2011

PubMed Abstract: We describe the design, synthesis and profiling of a novel series of PDE5 inhibitors. We take advantage of an alternate projection into the solvent region to identify compounds with excellent potency, selectivity and pharmacokinetic profiles.

PubMed: 21955943
DOI: 10.1016/j.bmcl.2011.08.106

実験手法

X-RAY DIFFRACTION (1.96 Å)