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Title | Application of Structure-Based Design and Parallel Chemistry to Identify a Potent, Selective, and Brain Penetrant Phosphodiesterase 2A Inhibitor. |
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Journal, issue, pages | J. Med. Chem., Vol. 60, Page 5673-5698, Year 2017 |
Publish date | Dec 12, 2016 (structure data deposition date) |
![]() | Helal, C.J. / Arnold, E.P. / Boyden, T.L. / Chang, C. / Chappie, T.A. / Fennell, K.F. / Forman, M.D. / Hajos, M. / Harms, J.F. / Hoffman, W.E. ...Helal, C.J. / Arnold, E.P. / Boyden, T.L. / Chang, C. / Chappie, T.A. / Fennell, K.F. / Forman, M.D. / Hajos, M. / Harms, J.F. / Hoffman, W.E. / Humphrey, J.M. / Kang, Z. / Kleiman, R.J. / Kormos, B.L. / Lee, C.W. / Lu, J. / Maklad, N. / McDowell, L. / Mente, S. / O'Connor, R.E. / Pandit, J. / Piotrowski, M. / Schmidt, A.W. / Schmidt, C.J. / Ueno, H. / Verhoest, P.R. / Yang, E.X. |
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Methods | X-ray diffraction |
Resolution | 1.75 - 2.38 Å |
Structure data | ![]() PDB-5u7d: ![]() PDB-5u7i: ![]() PDB-5u7j: ![]() PDB-5u7k: ![]() PDB-5u7l: |
Chemicals | ![]() ChemComp-19F: ![]() ChemComp-ZN: ![]() ChemComp-MG: ![]() ChemComp-HOH: ![]() ChemComp-7XS: ![]() ChemComp-7XV: ![]() ChemComp-7Y1: ![]() ChemComp-CL: ![]() ChemComp-7Y4: |
Source |
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![]() | Hydrolase/Hydrolase Inhibitor / PDE2 / SBDD / inhibitor / phosphodiesterase / Hydrolase-Hydrolase Inhibitor complex |