2PR3

Factor XA inhibitor

2PR3 の概要

• エントリーDOI: 10.2210/pdb2pr3/pdb
• 関連するPDBエントリー: 2G0M 2G21 2PHB
• 分子名称: COAGULATION FACTOR X, HEAVY CHAIN, COAGULATION FACTOR X, LIGHT CHAIN, CALCIUM ION, ... (5 entities in total)
• 機能のキーワード: fxa coagulation factor inhibitor, blood clotting
• 由来する生物種: Homo sapiens (human); 詳細
• 細胞内の位置: Secreted: P00742 P00742
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 32533.32

構造登録者

Zhang, E.,Kohrt, J.T.,Bigge, C.F.,Finzel, B.C. (登録日: 2007-05-03, 公開日: 2007-08-14, 最終更新日: 2024-11-20)

主引用文献

Van Huis, C.A.,Bigge, C.F.,Casimiro-Garcia, A.,Cody, W.L.,Dudley, D.A.,Filipski, K.J.,Heemstra, R.J.,Kohrt, J.T.,Narasimhan, L.S.,Schaum, R.P.,Zhang, E.,Bryant, J.W.,Haarer, S.,Janiczek, N.,Leadley, R.J.,McClanahan, T.,Thomas Peterson, J.,Welch, K.M.,Edmunds, J.J.
Structure-based drug design of pyrrolidine-1, 2-dicarboxamides as a novel series of orally bioavailable factor Xa inhibitors
Chem.Biol.Drug Des., 69:444-450, 2007

PubMed Abstract: A novel series of pyrrolidine-1,2-dicarboxamides was discovered as factor Xa inhibitors using structure-based drug design. This series consisted of a neutral 4-chlorophenylurea P1, a biphenylsulfonamide P4 and a D-proline scaffold (1, IC(50) = 18 nM). Optimization of the initial hit resulted in an orally bioavailable, subnanomolar inhibitor of factor Xa (13, IC(50) = 0.38 nM), which was shown to be efficacious in a canine electrolytic model of thrombosis with minimal bleeding.

PubMed: 17581239
DOI: 10.1111/j.1747-0285.2007.00520.x

実験手法

X-RAY DIFFRACTION (1.5 Å)