3KL6

Discovery of Tetrahydropyrimidin-2(1H)-one derivative TAK-442: A potent, selective and orally active factor Xa inhibitor

Summary for 3KL6

Entry DOI	10.2210/pdb3kl6/pdb
Descriptor	Coagulation Factor X heavy chain, Coagulation Factor X light chain, 1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1H)-one, ... (6 entities in total)
Functional Keywords	coagulation factor xa, blood coagulation, cleavage on pair of basic residues, disulfide bond, egf-like domain, gamma-carboxyglutamic acid, glycoprotein, hydrolase, hydroxylation, protease, secreted, serine protease, zymogen
Biological source	Homo sapiens (human) More
Cellular location	Secreted: P00742 P00742
Total number of polymer chains	2
Total formula weight	34238.49
Authors	Aertgeerts, K. (deposition date: 2009-11-06, release date: 2009-12-01, Last modification date: 2023-09-06)
Primary citation	Fujimoto, T.,Imaeda, Y.,Konishi, N.,Hiroe, K.,Kawamura, M.,Textor, G.P.,Aertgeerts, K.,Kubo, K. Discovery of a tetrahydropyrimidin-2(1H)-one derivative (TAK-442) as a potent, selective, and orally active factor Xa inhibitor. J.Med.Chem., 53:3517-3531, 2010 Cited by PubMed: 20355714 DOI: 10.1021/jm901699j PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.45 Å)

Structure validation