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TitleDiscovery of 1-(2-Aminomethylphenyl)-3-trifluoromethyl-N-[3-fluoro-2'-(aminosulfonyl)[1,1'-biphenyl)]-1H-pyrazole-5-carboxyamide (DPC602), a Potent, Selective, and Orally Bioavailable Factor Xa Inhibitor
Journal, issue, pagesJ. Med. Chem., Vol. 46, Page 5298-, Year 2003
Publish dateMar 8, 2010 (structure data deposition date)
AuthorsPruitt, J.R. / Pinto, D.J.P. / Galemmo, R.A.Jr. / Alexander, R.S. / Rossi, K.A. / Wells, B.L. / Drummond, S. / Bostrom, L.L. / Burdick, D. / Bruckner, R. ...Pruitt, J.R. / Pinto, D.J.P. / Galemmo, R.A.Jr. / Alexander, R.S. / Rossi, K.A. / Wells, B.L. / Drummond, S. / Bostrom, L.L. / Burdick, D. / Bruckner, R. / Chen, H. / Smallwood, A. / Wong, P.C. / Wright, M.R. / Bai, S. / Luettgen, J.M. / Knabb, R.M. / Lam, P.Y.S. / Wexler, R.R.
External linksPubMed:14640539
MethodsX-ray diffraction
Resolution1.9 - 2.2 Å
Structure data

PDB-3m35:
Trypsin in complex with the inhibitor 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC423)
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-3m36:
Factor XA in complex with the inhibitor 1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC423)
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-3m37:
Factor XA in complex with the inhibitor 1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide (DPC602)
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-M35:
1-[3-(aminomethyl)phenyl]-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-M37:
1-[2-(aminomethyl)phenyl]-N-(3-fluoro-2'-sulfamoylbiphenyl-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

Source
  • bos taurus (cattle)
  • homo sapiens (human)
KeywordsHYDROLASE / SERINE PROTEASE / DIGESTION / PANCREAS / ZYMOGEN / Disulfide bond / Metal-binding / Protease / Secreted / GLYCOPROTEIN / PLASMA / BLOOD COAGULATION FACTOR / PROTEIN INHIBITOR COMPLEX / CALCIUM- BINDING / Blood coagulation / Cleavage on pair of basic residues / EGF-like domain / Gamma-carboxyglutamic acid / Polymorphism

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