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TitleDiscovery of 1-(3'-aminobenzisoxazol-5'-yl)-3-trifluoromethyl-N-[2-fluoro-4-[(2'-dimethylaminomethyl)imidazol-1-yl]phenyl]-1H-pyrazole-5-carboxyamide hydrochloride (razaxaban), a highly potent, selective, and orally bioavailable factor Xa inhibitor.
Journal, issue, pagesJ. Med. Chem., Vol. 48, Page 1729-1744, Year 2005
Publish dateMar 22, 2005 (structure data deposition date)
AuthorsQuan, M.L. / Lam, P.Y.S. / Han, Q. / Pinto, D.J.P. / He, M.Y. / Li, R. / Ellis, C.D. / Clark, C.G. / Teleha, C.A. / Sun, J.-H. ...Quan, M.L. / Lam, P.Y.S. / Han, Q. / Pinto, D.J.P. / He, M.Y. / Li, R. / Ellis, C.D. / Clark, C.G. / Teleha, C.A. / Sun, J.-H. / Alexander, R.S. / Bai, S. / Luettgen, J.M. / Knabb, R.M. / Wong, P.C. / Wexler, R.R.
External linksJ. Med. Chem. / PubMed:15771420
MethodsX-ray diffraction
Resolution1.8 Å
Structure data

PDB-1z6e:
Factor XA in complex with the inhibitor 1-(3'-amino-1,2-benzisoxazol-5'-yl)-n-(4-(2'-((dimethylamino)methyl)-1h-imidazol-1-yl)-2-fluorophenyl)-3-(trifluoromethyl)-1h-pyrazole-5-carboxamide (razaxaban; DPC906; BMS-561389)
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-IK8:
1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-N-(4-{2-[(DIMETHYLAMINO)METHYL]-1H-IMIDAZOL-1-YL}-2-FLUOROPHENYL)-3-(TRIFLUOROMETHYL)

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / glycoprotein / serine protease / plasma / blood coagulation factor / protein inhibitor complex / calcium-binding / blood coagulation / cleavage on pair of basic residues / disulfide bond / egf-like domain

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