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TitleStructure- and Property-Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Acyclic Alanyl Amides as P4 Motifs.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 16, Page 5953-, Year 2006
Publish dateAug 31, 2006 (structure data deposition date)
AuthorsYoung, R.J. / Campbell, M. / Borthwick, A.D. / Brown, D. / Burns-Kurtis, C.L. / Chan, C. / Convery, M.A. / Crowe, M.C. / Dayal, S. / Diallo, H. ...Young, R.J. / Campbell, M. / Borthwick, A.D. / Brown, D. / Burns-Kurtis, C.L. / Chan, C. / Convery, M.A. / Crowe, M.C. / Dayal, S. / Diallo, H. / Kelly, H.A. / Paul King, N. / Kleanthous, S. / Mason, A.M. / Mordaunt, J.E. / Patel, C. / Pateman, A.J. / Senger, S. / Shah, G.P. / Smith, P.W. / Watson, N.S. / Weston, H.E. / Zhou, P.
External linksBioorg. Med. Chem. Lett. / PubMed:16982190
MethodsX-ray diffraction
Resolution1.8 Å
Structure data

PDB-2j4i:
CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-GSJ:
1-PYRROLIDINEACETAMIDE, 3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-ALPHA-METHYL-N-(1-METHYLETHYL)-N-[2-[(METHYLSULFONYL)AMINO]ETHYL]-2-OXO-, (ALPHAS,3S)-

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / BLOOD COAGULATION / CALCIUM / EGF-LIKE DOMAIN / GAMMA-CARBOXYGLUTAMIC ACID / GLYCOPROTEIN / HYDROXYLATION / POLYMORPHISM / PROTEASE / SERINE PROTEASE / ZYMOGEN / COMPLEX

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