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TitleDiscovery of 1-(4-Methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro- 1H-pyrazolo[3,4-c]pyridine-3-carboxamide (Apixaban, BMS-562247), a Highly Potent, Selective, Efficacious, and Orally Bioavailable Inhibitor of Blood Coagulation Factor Xa.
Journal, issue, pagesJ. Med. Chem., Vol. 50, Page 5339-5356, Year 2007
Publish dateMar 2, 2007 (structure data deposition date)
AuthorsPinto, D.J. / Orwat, M.J. / Koch, S. / Rossi, K.A. / Alexander, R.S. / Smallwood, A. / Wong, P.C. / Rendina, A.R. / Luettgen, J.M. / Knabb, R.M. ...Pinto, D.J. / Orwat, M.J. / Koch, S. / Rossi, K.A. / Alexander, R.S. / Smallwood, A. / Wong, P.C. / Rendina, A.R. / Luettgen, J.M. / Knabb, R.M. / He, K. / Xin, B. / Wexler, R.R. / Lam, P.Y.
External linksJ. Med. Chem. / PubMed:17914785
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-2p16:
Factor Xa in Complex with the Inhibitor APIXABAN (BMS-562247) AKA 1-(4-METHOXYPHENYL)-7-OXO-6-(4-(2-OXO-1-PIPERIDINYL)PHENYL)-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3, 4-C]PYRIDINE-3-CARBOXAMIDE
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-GG2:
1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXAMIDE / medication, anticoagulant*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / GLYCOPROTEIN / SERINE PROTEASE / PLASMA / BLOOD COAGULATION FACTOR / PROTEIN INHIBITOR COMPLEX / CALCIUM-BINDING

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