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Title | Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor. |
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Journal, issue, pages | J. Med. Chem., Vol. 58, Page 419-432, Year 2015 |
Publish date | Aug 5, 2014 (structure data deposition date) |
Authors | Henderson, J.L. / Kormos, B.L. / Hayward, M.M. / Coffman, K.J. / Jasti, J. / Kurumbail, R.G. / Wager, T.T. / Verhoest, P.R. / Noell, G.S. / Chen, Y. ...Henderson, J.L. / Kormos, B.L. / Hayward, M.M. / Coffman, K.J. / Jasti, J. / Kurumbail, R.G. / Wager, T.T. / Verhoest, P.R. / Noell, G.S. / Chen, Y. / Needle, E. / Berger, Z. / Steyn, S.J. / Houle, C. / Hirst, W.D. / Galatsis, P. |
External links | J. Med. Chem. / PubMed:25353650 |
Methods | X-ray diffraction |
Resolution | 1.63 - 1.79 Å |
Structure data | PDB-4u8z: PDB-4w8d: PDB-4w8e: |
Chemicals | ChemComp-MN: ChemComp-3FE: ChemComp-HOH: ChemComp-3JA: ChemComp-3JB: |
Source |
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Keywords | TRANSFERASE/TRANSFERASE INHIBITOR / MST3 / pyrrolopyrimidine / inhibitor / kinase / TRANSFERASE-TRANSFERASE INHIBITOR complex |