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Structure paper

TitleStructure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 18, Page 5245-5248, Year 2008
Publish dateDec 20, 2007 (structure data deposition date)
AuthorsLin, E.Y. / Guckian, K.M. / Silvian, L. / Chin, D. / Boriack-Sjodin, P.A. / van Vlijmen, H. / Friedman, J.E. / Scott, D.M.
External linksBioorg. Med. Chem. Lett. / PubMed:18783948
MethodsX-ray diffraction
Resolution1.8 - 2 Å
Structure data

PDB-3bqn:
LFA-1 I domain bound to inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-3e2m:
LFA-1 I domain bound to inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-BQN:
4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine

ChemComp-HOH:
WATER

ChemComp-E2M:
cis-4-{[2-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)phenoxy]methyl}cyclohexanecarboxylic acid

Source
  • homo sapiens (human)
KeywordsCELL ADHESION / Integrin I-domain / Leukocyte function associated antigen-1 / Glycoprotein / Magnesium / Membrane / Receptor / Transmembrane / ALTERNATIVE SPLICING / CALCIUM / POLYMORPHISM

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