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TitleDesign and synthesis of bicyclic pyrazinone and pyrimidinone amides as potent TF-FVIIa inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 23, Page 1604-1607, Year 2013
Publish dateJan 16, 2013 (structure data deposition date)
AuthorsZhang, X. / Glunz, P.W. / Jiang, W. / Schmitt, A. / Newman, M. / Barbera, F.A. / Bozarth, J.M. / Rendina, A.R. / Wei, A. / Wen, X. ...Zhang, X. / Glunz, P.W. / Jiang, W. / Schmitt, A. / Newman, M. / Barbera, F.A. / Bozarth, J.M. / Rendina, A.R. / Wei, A. / Wen, X. / Rossi, K.A. / Luettgen, J.M. / Wong, P.C. / Knabb, R.M. / Wexler, R.R. / Scott Priestley, E.
External linksBioorg. Med. Chem. Lett. / PubMed:23416003
MethodsX-ray diffraction
Resolution1.94 Å
Structure data

PDB-4isi:
Structure of FACTOR VIIA in complex with the inhibitor (6S)-N-(4-CARBAMIMIDOYLBENZYL)-1-CHLORO-3-(CYCLOBUTYLAMINO)-8,8-DIETHYL-4-OXO-4,6,7,8-TETRAHYDROPYRROLO[1,2-A]PYRAZINE-6-CARBOXAMIDE
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

Chemicals

ChemComp-1GG:
(6S)-N-(4-carbamimidoylbenzyl)-1-chloro-3-(cyclobutylamino)-8,8-diethyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-6-carboxamide

ChemComp-CA:
Unknown entry

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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