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Title1-[3-Aminobenzisoxazol-5'-yl]-3-trifluoromethyl-6-[2'-(3-(R)-hydroxy-N-pyrrolidinyl)methyl-[1,1']-biphen-4-yl]-1,4,5,6-tetrahydropyrazolo-[3,4-c]-pyridin-7-one (BMS-740808) a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 16, Page 4141-4147, Year 2006
Publish dateFeb 10, 2006 (structure data deposition date)
AuthorsPinto, D.J. / Orwat, M.J. / Quan, M.L. / Han, Q. / Galemmo, R.A. / Amparo, E. / Wells, B. / Ellis, C. / He, M.Y. / Alexander, R.S. ...Pinto, D.J. / Orwat, M.J. / Quan, M.L. / Han, Q. / Galemmo, R.A. / Amparo, E. / Wells, B. / Ellis, C. / He, M.Y. / Alexander, R.S. / Rossi, K.A. / Smallwood, A. / Wong, P.C. / Luettgen, J.M. / Rendina, A.R. / Knabb, R.M. / Mersinger, L. / Kettner, C. / Bai, S. / He, K. / Wexler, R.R. / Lam, P.Y.
External linksBioorg. Med. Chem. Lett. / PubMed:16730984
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-2fzz:
Factor Xa in complex with the inhibitor 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(2'-(((3r)-3-hydroxy-1-pyrrolidinyl)methyl)-4-biphenylyl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7h-pyrazolo[3,4-c]pyridin-7-one
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-5QC:
1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-6-(2'-{[(3R)-3-HYDROXYPYRROLIDIN-1-YL]METHYL}BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDRO-7H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE

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

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