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Title4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships.
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 2472-2489, Year 2018
Publish dateMay 19, 2016 (structure data deposition date)
AuthorsRoberts, R.S. / Sevilla, S. / Ferrer, M. / Taltavull, J. / Hernandez, B. / Segarra, V. / Gracia, J. / Lehner, M.D. / Gavalda, A. / Andres, M. ...Roberts, R.S. / Sevilla, S. / Ferrer, M. / Taltavull, J. / Hernandez, B. / Segarra, V. / Gracia, J. / Lehner, M.D. / Gavalda, A. / Andres, M. / Cabedo, J. / Vilella, D. / Eichhorn, P. / Calama, E. / Carcasona, C. / Miralpeix, M.
External linksJ. Med. Chem. / PubMed:29502405
MethodsX-ray diffraction
Resolution1.99 Å
Structure data

PDB-5k32:
PDE4D crystal structure in complex with small molecule inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-6Q2:
4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / phosphodiesterases / inhibitor

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