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Structure paper

TitleAchieving structural diversity using the perpendicular conformation of alpha-substituted phenylcyclopropanes to mimic the bioactive conformation of ortho-substituted biphenyl P4 moieties: discovery of novel, highly potent inhibitors of Factor Xa.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 18, Page 4118-4123, Year 2008
Publish dateApr 9, 2008 (structure data deposition date)
AuthorsQiao, J.X. / Cheney, D.L. / Alexander, R.S. / Smallwood, A.M. / King, S.R. / He, K. / Rendina, A.R. / Luettgen, J.M. / Knabb, R.M. / Wexler, R.R. / Lam, P.Y.
External linksBioorg. Med. Chem. Lett. / PubMed:18550370
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-3cs7:
FACTOR XA IN COMPLEX WITH THE INHIBITOR 1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-LG0:
1-(4-methoxyphenyl)-6-(4-(1-(pyrrolidin-1-ylmethyl)cyclopropyl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1H-pyrazolo[3,4-c]pyridin-7(4H)-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / GLYCOPROTEIN / SERINE PROTEASE / PLASMA / BLOOD COAGULATION FACTOR / PROTEIN INHIBITOR COMPLEX / CALCIUM-BINDING / Cleavage on pair of basic residues / EGF-like domain / Gamma-carboxyglutamic acid / Hydroxylation / Polymorphism / Zymogen / Blood coagulation / Calcium / Protease

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