3LC5

Selective Benzothiophine Inhibitors of Factor IXa

Summary for 3LC5

• Entry DOI: 10.2210/pdb3lc5/pdb
• Related: 3LC3
• Descriptor: Coagulation factor IX, CALCIUM ION, 1-{4-[(R)-phenyl(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-1-benzothiophen-2-yl}methanediamine, ... (5 entities in total)
• Functional Keywords: protein-inhibitor complex, peptidase s1, blood coagulation, calcium, cleavage on pair of basic residues, disease mutation, disulfide bond, egf-like domain, gamma-carboxyglutamic acid, glycoprotein, hemophilia, hydrolase, hydroxylation, pharmaceutical, phosphoprotein, polymorphism, protease, secreted, serine protease, sulfation, zymogen, 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: 32915.54

Authors

Wang, S.,Beck, R. (deposition date: 2010-01-09, release date: 2010-02-23, Last modification date: 2011-07-13)

• Primary citation: Wang, S.,Beck, R.,Burd, A.,Blench, T.,Marlin, F.,Ayele, T.,Buxton, S.,Dagostin, C.,Malic, M.,Joshi, R.,Barry, J.,Sajad, M.,Cheung, C.,Shaikh, S.,Chahwala, S.,Chander, C.,Baumgartner, C.,Holthoff, H.P.,Murray, E.,Blackney, M.,Giddings, A.; Structure Based Drug Design: Development of Potent and Selective Factor IXa (FIXa) Inhibitors.; J.Med.Chem., 53:1473-1482, 2010; PubMed: 20121197; DOI: 10.1021/jm901476x

Experimental method

X-RAY DIFFRACTION (2.62 Å)