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TitleDiscovery of a tetrahydropyrimidin-2(1H)-one derivative (TAK-442) as a potent, selective, and orally active factor Xa inhibitor.
Journal, issue, pagesJ. Med. Chem., Vol. 53, Page 3517-3531, Year 2010
Publish dateNov 6, 2009 (structure data deposition date)
AuthorsFujimoto, T. / Imaeda, Y. / Konishi, N. / Hiroe, K. / Kawamura, M. / Textor, G.P. / Aertgeerts, K. / Kubo, K.
External linksJ. Med. Chem. / PubMed:20355714
MethodsX-ray diffraction
Resolution1.45 Å
Structure data

PDB-3kl6:
Discovery of Tetrahydropyrimidin-2(1H)-one derivative TAK-442: A potent, selective and orally active factor Xa inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.45 Å

Chemicals

ChemComp-443:
1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1H)-one

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / coagulation factor Xa / Blood coagulation / Cleavage on pair of basic residues / Disulfide bond / EGF-like domain / Gamma-carboxyglutamic acid / Glycoprotein / Hydroxylation / Protease / Secreted / Serine protease / Zymogen

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