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TitleIdentification and Profiling of a Selective and Brain Penetrant Radioligand for in Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors.
Journal, issue, pagesACS Chem Neurosci, Vol. 8, Page 1995-2004, Year 2017
Publish dateJun 13, 2017 (structure data deposition date)
AuthorsWager, T.T. / Galatsis, P. / Chandrasekaran, R.Y. / Butler, T.W. / Li, J. / Zhang, L. / Mente, S. / Subramanyam, C. / Liu, S. / Doran, A.C. ...Wager, T.T. / Galatsis, P. / Chandrasekaran, R.Y. / Butler, T.W. / Li, J. / Zhang, L. / Mente, S. / Subramanyam, C. / Liu, S. / Doran, A.C. / Chang, C. / Fisher, K. / Grimwood, S. / Hedde, J.R. / Marconi, M. / Schildknegt, K.
External linksACS Chem Neurosci / PubMed:28609096
MethodsX-ray diffraction
Resolution1.99 Å
Structure data

PDB-5w4w:
Identification and Profiling of a Selective and Brain Penetrant Radioligand for In Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

Chemicals

ChemComp-9WG:
4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-6-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/INHIBITOR / kinase / inhibitor / TRANSFERASE-INHIBITOR complex

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