6X5J

Discovery of Hydroxy Pyrimidine Factor IXa Inhibitors

6X5J の概要

• エントリーDOI: 10.2210/pdb6x5j/pdb
• 関連するPDBエントリー: 6X5L 6X5P
• 分子名称: Coagulation factor IX, GLYCEROL, 2-(4-HYDROXY-5-PHENYL-1H-PYRAZOL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, ... (7 entities in total)
• 機能のキーワード: serine protease, zymogen, hydrolase, glycoprotein, hydroxylation, phosphoprotein, sulfation, hemostasis, hemophilia, xase-like variant, communication channel, gamma-carboxyglutamic acid, egf-like domain, disease mutation, blood clotting
• 由来する生物種: Homo sapiens (Human); 詳細
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 34326.63

構造登録者

Jayne, C.L.,Andreani, T.,Chan, T.,Chelliah, M.V.,Clasby, M.C.,Dwyer, M.,Eagen, K.A.,Fried, S.,Greenlee, W.J.,Guo, Z.,Hawes, B.,Hruza, A.,Ingram, R.,Keertikar, K.M.,Neelamkavil, S.,Reichert, P.,Xia, Y.,Chackalamannil, S. (登録日: 2020-05-26, 公開日: 2020-06-24, 最終更新日: 2024-11-20)

主引用文献

Jayne, C.L.,Andreani, T.,Chan, T.Y.,Chelliah, M.V.,Clasby, M.C.,Dwyer, M.,Eagen, K.A.,Fried, S.,Greenlee, W.J.,Guo, Z.,Hawes, B.,Hruza, A.,Ingram, R.,Keertikar, K.M.,Neelamkavil, S.,Reichert, P.,Xia, Y.,Chackalamannil, S.
Discovery of hydroxy pyrimidine Factor IXa inhibitors.
Bioorg.Med.Chem.Lett., 30:127279-127279, 2020

PubMed Abstract: The synthesis and structure activity relationship development of a pyrimidine series of heterocyclic Factor IXa inhibitors is described. Increased selectivity over Factor Xa inhibition was achieved through SAR expansion of the P1 element. Select compounds were evaluated in vivo to assess their plasma levels in rat.

PubMed: 32527459
DOI: 10.1016/j.bmcl.2020.127279

実験手法

X-RAY DIFFRACTION (2.513 Å)