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TitleStructure-based design and synthesis of pyrazinones containing novel P1 'side pocket' moieties as inhibitors of TF/VIIa.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 15, Page 3006-3011, Year 2005
Publish dateMar 22, 2005 (structure data deposition date)
AuthorsSchweitzer, B.A. / Neumann, W.L. / Rahman, H.K. / Kusturin, C.L. / Sample, K.R. / Poda, G.I. / Kurumbail, R.G. / Stevens, A.M. / Stegeman, R.A. / Stallings, W.C. / South, M.S.
External linksBioorg. Med. Chem. Lett. / PubMed:15913999
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-1z6j:
Crystal Structure of a ternary complex of Factor VIIa/Tissue Factor/Pyrazinone Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-PY3:
5-[AMINO(IMINO)METHYL]-2-[({[6-[3-AMINO-5-({[(1R)-1-METHYLPROPYL]AMINO}CARBONYL)PHENYL]-3-(ISOPROPYLAMINO)-2-OXOPYRAZIN-1(2H)-YL]ACETYL}AMINO)METHYL]-N-PYRIDIN-4-YLBENZAMIDE

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Blood coagulation / serine protease / thrombosis / gla / pyrazinone / benzamidine / tissue factor / cofactor / enzyme inhibitor complex

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