5EXM

FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate

Summary for 5EXM

• Entry DOI: 10.2210/pdb5exm/pdb
• Related: 5EXL 5EXN
• Descriptor: Coagulation factor XIa light chain, methyl ~{N}-[4-[2-[(1~{S})-1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate, 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: 28589.41

Authors

Wei, A. (deposition date: 2015-11-23, release date: 2016-04-13, Last modification date: 2023-09-27)

• Primary citation: Corte, J.R.,Fang, T.,Pinto, D.J.P.,Orwat, M.J.,Han, W.,Rendina, A.R.,Luettgen, J.M.,Rossi, K.A.,Wei, A.,Ramamurthy, V.,Myers Jr., J.E.,Sheriff, S.,Narayanan, R.,Harper, T.,Zheng, J.J.,Li, Y.-X.,Seiffert, D.A.,Wexler, R.R.,Quan, M.L.; Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group; Bioorg.Med.Chem., 24:2257-2272, 2016; PubMed: 27073051; DOI: 10.1016/j.bmc.2016.03.062

Experimental method

X-RAY DIFFRACTION (2.09 Å)