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TitleDiscovery of a Potent Class of PI3K alpha Inhibitors with Unique Binding Mode via Encoded Library Technology (ELT).
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 6, Page 531-536, Year 2015
Publish dateMar 4, 2015 (structure data deposition date)
AuthorsYang, H. / Medeiros, P.F. / Raha, K. / Elkins, P. / Lind, K.E. / Lehr, R. / Adams, N.D. / Burgess, J.L. / Schmidt, S.J. / Knight, S.D. ...Yang, H. / Medeiros, P.F. / Raha, K. / Elkins, P. / Lind, K.E. / Lehr, R. / Adams, N.D. / Burgess, J.L. / Schmidt, S.J. / Knight, S.D. / Auger, K.R. / Schaber, M.D. / Franklin, G.J. / Ding, Y. / DeLorey, J.L. / Centrella, P.A. / Mataruse, S. / Skinner, S.R. / Clark, M.A. / Cuozzo, J.W. / Evindar, G.
External linksAcs Med. Chem. Lett. / PubMed:26005528
MethodsX-ray diffraction
Resolution2.9 Å
Structure data

PDB-4ykn:
Pi3K alpha lipid kinase with Active Site Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

Chemicals

ChemComp-4EL:
3-(6-methoxypyridin-3-yl)-5-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}amino)methyl]benzoic acid

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTransferase/Transferase Inhibitor / "Lipid Kinase" / inhibitor / complex / Pi3K / Pi3K alpha / Transferase-Transferase Inhibitor complex

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