5TNT

Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors

5TNT の概要

• エントリーDOI: 10.2210/pdb5tnt/pdb
• 関連するPDBエントリー: 5TNO
• 分子名称: Coagulation factor IX, N-[(1S,4S,7R)-2-(3-amino-4-chloro[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-(3-methyl-1H-1,2,4-triazol-1-yl)benzamide, SODIUM ION, ... (6 entities in total)
• 機能のキーワード: serine proteinase, blood coagulation, coagulation factor, hydrolase-2, hydrolase inhibitor complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (Human); 詳細
• 細胞内の位置: Secreted : P00740 P00740
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 33676.15

構造登録者

Sakurada, I.,Endo, T.,Hikita, K.,Hirabayashi, T.,Hosaka, Y.,Kato, Y.,Maeda, Y.,Matsumoto, S.,Mizuno, T.,Nagasue, A.,Nishimura, T.,Shimada, S.,Shinozaki, M.,Taguchi, K.,Takeuchi, K.,Yokoyama, T.,Hruza, A.,Reichert, P.,Zhang, T.,Wood, H.B.,Nakao, K.,Furusako, S. (登録日: 2016-10-14, 公開日: 2017-04-26, 最終更新日: 2023-10-04)

• 主引用文献: Sakurada, I.,Endo, T.,Hikita, K.,Hirabayashi, T.,Hosaka, Y.,Kato, Y.,Maeda, Y.,Matsumoto, S.,Mizuno, T.,Nagasue, H.,Nishimura, T.,Shimada, S.,Shinozaki, M.,Taguchi, K.,Takeuchi, K.,Yokoyama, T.,Hruza, A.,Reichert, P.,Zhang, T.,Wood, H.B.,Nakao, K.,Furusako, S.; Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors.; Bioorg. Med. Chem. Lett., 27:2622-2628, 2017; PubMed: 28408226; DOI: 10.1016/j.bmcl.2017.03.002

実験手法

X-RAY DIFFRACTION (1.4 Å)