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Structure paper

TitleNeutral macrocyclic factor VIIa inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 27, Page 2650-2654, Year 2017
Publish dateDec 8, 2016 (structure data deposition date)
AuthorsWurtz, N.R. / Parkhurst, B.L. / DeLucca, I. / Glunz, P.W. / Jiang, W. / Zhang, X. / Cheney, D.L. / Bozarth, J.M. / Rendina, A.R. / Wei, A. ...Wurtz, N.R. / Parkhurst, B.L. / DeLucca, I. / Glunz, P.W. / Jiang, W. / Zhang, X. / Cheney, D.L. / Bozarth, J.M. / Rendina, A.R. / Wei, A. / Harper, T. / Luettgen, J.M. / Wu, Y. / Wong, P.C. / Seiffert, D.A. / Wexler, R.R. / Priestley, E.S.
External linksBioorg. Med. Chem. Lett. / PubMed:28460818
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-5u6j:
Factor VIIa in complex with the inhibitor 3-{[(2R)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-82J:
3-{[(2R)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide

ChemComp-CA:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / GLYCOPROTEIN / HYDROLASE / SERINE PROTEASE / PLASMA / BLOOD COAGULATION FACTOR / PROTEIN INHIBITOR COMPLEX / CALCIUM- BINDING / HYDROLASE-HYDROLASE INHIBITOR complex

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