4NA8

Factor XIa in complex with the inhibitor 5-aminocarbonyl-2-[3-[(2s,4r)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1h-quinolin-2-yl]phenyl]benzoic acid

Summary for 4NA8

• Entry DOI: 10.2210/pdb4na8/pdb
• Descriptor: Coagulation factor XI, 5-aminocarbonyl-2-[3-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl]phenyl]benzoic acid, SULFATE ION, ... (5 entities in total)
• Functional Keywords: hydrolase, serine protease, blood coagulation factor, protein inhibitor complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Secreted: P03951
• Total number of polymer chains: 1
• Total formula weight: 28426.22

Authors

Wei, A. (deposition date: 2013-10-21, release date: 2014-02-12, Last modification date: 2024-04-03)

• Primary citation: Quan, M.L.,Wong, P.C.,Wang, C.,Woerner, F.,Smallheer, J.M.,Barbera, F.A.,Bozarth, J.M.,Brown, R.L.,Harpel, M.R.,Luettgen, J.M.,Morin, P.E.,Peterson, T.,Ramamurthy, V.,Rendina, A.R.,Rossi, K.A.,Watson, C.A.,Wei, A.,Zhang, G.,Seiffert, D.,Wexler, R.R.; Tetrahydroquinoline Derivatives as Potent and Selective Factor XIa Inhibitors.; J.Med.Chem., 57:955-969, 2014; PubMed: 24405333; DOI: 10.1021/jm401670x

Experimental method

X-RAY DIFFRACTION (2.3 Å)