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Structure paper

TitleDesign and synthesis of potent, selective phenylimidazole-based FVIIa inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 25, Page 2169-2173, Year 2015
Publish dateMar 17, 2015 (structure data deposition date)
AuthorsGlunz, P.W. / Cheng, X. / Cheney, D.L. / Weigelt, C.A. / Wei, A. / Luettgen, J.M. / Wong, P.C. / Wexler, R.R. / Priestley, E.S.
External linksBioorg. Med. Chem. Lett. / PubMed:25881820
MethodsX-ray diffraction
Resolution2.07 - 2.3 Å
Structure data

PDB-4yt6:
Factor VIIa in complex with the inhibitor 4-{[(R)-[5-ethoxy-2-fluoro-3-(propan-2-yloxy)phenyl](4-phenyl-1H-imidazol-2-yl)methyl]amino}benzenecarboximidamide
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

PDB-4yt7:
Factor VIIa in complex with the inhibitor 2-(2-{(R)-[(4-carbamimidoylphenyl)amino][5-ethoxy-2-fluoro-3-(propan-2-yloxy)phenyl]methyl}-1H-imidazol-4-yl)benzamide
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-4JY:
4-[[(R)-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)-(4-phenyl-1H-imidazol-2-yl)methyl]amino]benzenecarboximidamide

ChemComp-CA:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-4K1:
2-[2-[(R)-[(4-carbamimidoylphenyl)amino]-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)methyl]-1H-imidazol-4-yl]benzamide

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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