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Structure paper

TitleArylsulfonamidopiperidone derivatives as a novel class of factor Xa inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 7516-7521, Year 2011
Publish dateJul 13, 2011 (structure data deposition date)
AuthorsShi, Y. / O'Connor, S.P. / Sitkoff, D. / Zhang, J. / Shi, M. / Bisaha, S.N. / Wang, Y. / Li, C. / Ruan, Z. / Michael Lawrence, R. ...Shi, Y. / O'Connor, S.P. / Sitkoff, D. / Zhang, J. / Shi, M. / Bisaha, S.N. / Wang, Y. / Li, C. / Ruan, Z. / Michael Lawrence, R. / Klei, H.E. / Kish, K. / Liu, E.C. / Seiler, S.M. / Schweizer, L. / Steinbacher, T.E. / Schumacher, W.A. / Robl, J.A. / Macor, J.E. / Atwal, K.S. / Stein, P.D.
External linksBioorg. Med. Chem. Lett. / PubMed:22041058
MethodsX-ray diffraction
Resolution2.42 Å
Structure data

PDB-3sw2:
X-ray crystal structure of human FXA in complex with 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide
Method: X-RAY DIFFRACTION / Resolution: 2.42 Å

Chemicals

ChemComp-FI1:
6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide

ChemComp-NA:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / serine protease / epidermal growth factor-like domain / blood coagulation factor / cleavage on pair of basic residues / EGF-like domain / gamma-carboxyglutamic acid / glycoprotein / hydroxylation / zymogen / HYDROLASE / BLOOD CLOTTING / HYDROLASE-HYDROLASE INHIBITOR complex

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