5TNT

Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors

Summary for 5TNT

• Entry DOI: 10.2210/pdb5tnt/pdb
• Related: 5TNO
• Descriptor: 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)
• Functional Keywords: serine proteinase, blood coagulation, coagulation factor, hydrolase-2, hydrolase inhibitor complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human); More
• Cellular location: Secreted : P00740 P00740
• Total number of polymer chains: 2
• Total formula weight: 33676.15

Authors

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. (deposition date: 2016-10-14, release date: 2017-04-26, Last modification date: 2023-10-04)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (1.4 Å)