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-Structure paper
Title | Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors. |
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Journal, issue, pages | J. Med. Chem., Vol. 55, Page 9055-9068, Year 2012 |
Publish date | Mar 20, 2012 (structure data deposition date) |
Authors | Claffey, M.M. / Helal, C.J. / Verhoest, P.R. / Kang, Z. / Fors, K.S. / Jung, S. / Zhong, J. / Bundesmann, M.W. / Hou, X. / Lui, S. ...Claffey, M.M. / Helal, C.J. / Verhoest, P.R. / Kang, Z. / Fors, K.S. / Jung, S. / Zhong, J. / Bundesmann, M.W. / Hou, X. / Lui, S. / Kleiman, R.J. / Vanase-Frawley, M. / Schmidt, A.W. / Menniti, F. / Schmidt, C.J. / Hoffman, W.E. / Hajos, M. / McDowell, L. / O'Connor, R.E. / Macdougall-Murphy, M. / Fonseca, K.R. / Becker, S.L. / Nelson, F.R. / Liras, S. |
External links | J. Med. Chem. / PubMed:23025719 |
Methods | X-ray diffraction |
Resolution | 2.4 - 3 Å |
Structure data | PDB-4e90: PDB-4g2j: PDB-4g2l: |
Chemicals | ChemComp-ZN: ChemComp-MG: ChemComp-7RG: ChemComp-HOH: ChemComp-0WF: ChemComp-0WL: |
Source |
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Keywords | Hydrolase/Hydrolase Inhibitor / Hydrolase-Hydrolase Inhibitor complex / phosphodiesterase / inhibitors / cGMP->GMP / inhibitor complex |