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-Structure paper
Title | Discovery, Structure-Activity Relationships, and In Vivo Evaluation of Novel Aryl Amides as Brain Penetrant Adaptor Protein 2-Associated Kinase 1 (AAK1) Inhibitors for the Treatment of Neuropathic Pain. |
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Journal, issue, pages | J. Med. Chem., Vol. 64, Page 11090-11128, Year 2021 |
Publish date | Feb 25, 2021 (structure data deposition date) |
Authors | Hartz, R.A. / Ahuja, V.T. / Nara, S.J. / Kumar, C.M.V. / Brown, J.M. / Bristow, L.J. / Rajamani, R. / Muckelbauer, J.K. / Camac, D. / Kiefer, S.E. ...Hartz, R.A. / Ahuja, V.T. / Nara, S.J. / Kumar, C.M.V. / Brown, J.M. / Bristow, L.J. / Rajamani, R. / Muckelbauer, J.K. / Camac, D. / Kiefer, S.E. / Hunihan, L. / Gulianello, M. / Lewis, M. / Easton, A. / Lippy, J.S. / Surti, N. / Pattipati, S.N. / Dokania, M. / Elavazhagan, S. / Dandapani, K. / Hamman, B.D. / Allen, J. / Kostich, W. / Bronson, J.J. / Macor, J.E. / Dzierba, C.D. |
External links | J. Med. Chem. / PubMed:34270254 |
Methods | X-ray diffraction |
Resolution | 2.2 - 2.65 Å |
Structure data | PDB-7lvh: PDB-7lvi: |
Chemicals | ChemComp-YFS: ChemComp-SO4: ChemComp-YFV: ChemComp-HOH: ChemComp-YFY: |
Source |
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Keywords | TRANSFERASE/TRANSFERASE inhibitor / KINASE / AAK1 / LIGAND / TRANSFERASE / TRANSFERASE-TRANSFERASE inhibitor complex |