2FZZ

Factor Xa in complex with the inhibitor 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(2'-(((3r)-3-hydroxy-1-pyrrolidinyl)methyl)-4-biphenylyl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7h-pyrazolo[3,4-c]pyridin-7-one

2FZZ の概要

• エントリーDOI: 10.2210/pdb2fzz/pdb
• 分子名称: Coagulation factor X, 1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-6-(2'-{[(3R)-3-HYDROXYPYRROLIDIN-1-YL]METHYL}BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDRO-7H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE (3 entities in total)
• 機能のキーワード: glycoprotein, hydrolase, serine protease, plasma, blood coagulation factor, protein inhibitor complex, calcium-binding
• 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: 32624.92

構造登録者

Alexander, R.S. (登録日: 2006-02-10, 公開日: 2006-06-27, 最終更新日: 2011-07-13)

• 主引用文献: Pinto, D.J.,Orwat, M.J.,Quan, M.L.,Han, Q.,Galemmo, R.A.,Amparo, E.,Wells, B.,Ellis, C.,He, M.Y.,Alexander, R.S.,Rossi, K.A.,Smallwood, A.,Wong, P.C.,Luettgen, J.M.,Rendina, A.R.,Knabb, R.M.,Mersinger, L.,Kettner, C.,Bai, S.,He, K.,Wexler, R.R.,Lam, P.Y.; 1-[3-Aminobenzisoxazol-5'-yl]-3-trifluoromethyl-6-[2'-(3-(R)-hydroxy-N-pyrrolidinyl)methyl-[1,1']-biphen-4-yl]-1,4,5,6-tetrahydropyrazolo-[3,4-c]-pyridin-7-one (BMS-740808) a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa.; Bioorg.Med.Chem.Lett., 16:4141-4147, 2006; PubMed: 16730984; DOI: 10.1016/j.bmcl.2006.02.069

実験手法

X-RAY DIFFRACTION (2.2 Å)