2EI6

FACTOR XA IN COMPLEX WITH THE INHIBITOR (-)-cis-N1-[(5-Chloroindol-2-yl)carbonyl]-N2-[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-1,2-cyclohexanediamine

Summary for 2EI6

• Entry DOI: 10.2210/pdb2ei6/pdb
• Related: 1v3x 1wu1 2EI7 2EI8 2d1j
• Descriptor: Coagulation factor X, heavy chain, Coagulation factor X, light chain, CALCIUM ION, ... (5 entities in total)
• Functional Keywords: glycoprotein, hydrolase, serine protease, plasma, blood coagulation factor, protein inhibitor complex, calcium-binding
• Biological source: Homo sapiens (human); More
• Cellular location: Secreted: P00742 P00742
• Total number of polymer chains: 2
• Total formula weight: 32745.69

Authors

Suzuki, M. (deposition date: 2007-03-12, release date: 2008-03-18, Last modification date: 2024-11-20)

Primary citation

Nagata, T.,Yoshino, T.,Haginoya, N.,Yoshikawa, K.,Isobe, Y.,Furugohri, T.,Kanno, H.
Cycloalkanediamine derivatives as novel blood coagulation factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 17:4683-4688, 2007

PubMed Abstract: This paper describes the synthesis of orally available potent fXa inhibitors 2 and 3 by modification of the piperazine part of lead compound 1. Carbonyl derivative 3 showed potent fXa activity but not sulfonyl derivative 2. Among the compounds synthesized, cyclohexane derivatives 3g and 3h and cycloheptane derivative 3j had potent anticoagulant activity as well as anti-fXa activity. Synthetic study of the optical isomers of 3g demonstrated that (-)-3g had more potent activity.

PubMed: 17555959
DOI: 10.1016/j.bmcl.2007.05.068

Experimental method

X-RAY DIFFRACTION (2.3 Å)