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TitleDesign of LFA-1 antagonists based on a 2,3-dihydro-1H-pyrrolizin-5(7aH)-one scaffold.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 17, Page 1908-1911, Year 2007
Publish dateDec 11, 2006 (structure data deposition date)
AuthorsDodd, D.S. / Sheriff, S. / Chang, C.J. / Stetsko, D.K. / Phillips, L.M. / Zhang, Y. / Launay, M. / Potin, D. / Vaccaro, W. / Poss, M.A. ...Dodd, D.S. / Sheriff, S. / Chang, C.J. / Stetsko, D.K. / Phillips, L.M. / Zhang, Y. / Launay, M. / Potin, D. / Vaccaro, W. / Poss, M.A. / McKinnon, M. / Barrish, J.C. / Suchard, S.J. / Murali Dhar, T.G.
External linksBioorg. Med. Chem. Lett. / PubMed:17291752
MethodsX-ray diffraction
Resolution1.75 Å
Structure data

PDB-2o7n:
CD11A (LFA1) I-domain complexed with 7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

Chemicals

ChemComp-2O7:
7A-[(4-cyanophenyl)methyl]-6-(3,5-dichlorophenyl)-5-oxo-2,3,5,7A-tetrahydro-1H-pyrrolo[1,2-A]pyrrole-7-carbonitrile

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsCELL ADHESION / INHIBITOR / PROTEIN-LIGAND COMPLEX

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