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Structure paper

TitlePyridine and pyridinone-based factor XIa inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 25, Page 925-930, Year 2015
Publish dateNov 13, 2014 (structure data deposition date)
AuthorsCorte, J.R. / Fang, T. / Hangeland, J.J. / Friends, T.J. / Rendina, A.R. / Luettgen, J.M. / Bozarth, J.M. / Barbera, F.A. / Rossi, K.A. / Wei, A. ...Corte, J.R. / Fang, T. / Hangeland, J.J. / Friends, T.J. / Rendina, A.R. / Luettgen, J.M. / Bozarth, J.M. / Barbera, F.A. / Rossi, K.A. / Wei, A. / Ramamurthy, V. / Morin, P.E. / Seiffert, D.A. / Wexler, R.R. / Quan, M.L.
External linksBioorg. Med. Chem. Lett. / PubMed:25592713
MethodsX-ray diffraction
Resolution2.6 Å
Structure data

PDB-4wxi:
FACTOR XIA IN COMPLEX WITH THE INHIBITOR trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)pyridin-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-3VM:
trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)pyridin-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
Keywordshydrolase/hydrolase inhibitor / HYDROLASE / SERINE PROTEASE / BLOOD COAGULATION FACTOR / PROTEIN INHIBITOR COMPLEX / hydrolase-hydrolase inhibitor complex

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