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TitleOptimization of brain-penetrant picolinamide derived leucine-rich repeat kinase 2 (LRRK2) inhibitors.
Journal, issue, pagesRsc Med Chem, Vol. 12, Page 1164-1173, Year 2021
Publish dateApr 2, 2021 (structure data deposition date)
AuthorsGulati, A. / Yeung, C.S. / Lapointe, B. / Kattar, S.D. / Gunaydin, H. / Scott, J.D. / Childers, K.K. / Methot, J.L. / Simov, V. / Kurukulasuriya, R. ...Gulati, A. / Yeung, C.S. / Lapointe, B. / Kattar, S.D. / Gunaydin, H. / Scott, J.D. / Childers, K.K. / Methot, J.L. / Simov, V. / Kurukulasuriya, R. / Pio, B. / Morriello, G.J. / Liu, P. / Tang, H. / Neelamkavil, S. / Wood, H.B. / Rada, V.L. / Ardolino, M.J. / Yan, X.C. / Palte, R. / Otte, K. / Faltus, R. / Woodhouse, J. / Hegde, L.G. / Ciaccio, P. / Minnihan, E.C. / DiMauro, E.F. / Fell, M.J. / Fuller, P.H. / Ellis, J.M.
External linksRsc Med Chem / PubMed:34355182
MethodsX-ray diffraction
Resolution1.65 Å
Structure data

PDB-7mck:
Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 18
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

Chemicals

ChemComp-YXD:
N-{5-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyridin-3-yl}-6-(1-methyl-1H-pyrazol-4-yl)pyridine-2-carboxamide

ChemComp-HOH:
WATER

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

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