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TitleDiscovery and Optimization of Thiazolidinyl and Pyrrolidinyl Derivatives as Inhaled PDE4 Inhibitors for Respiratory Diseases.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 10026-10046, Year 2017
Publish dateJul 17, 2017 (structure data deposition date)
AuthorsCarzaniga, L. / Amari, G. / Rizzi, A. / Capaldi, C. / De Fanti, R. / Ghidini, E. / Villetti, G. / Carnini, C. / Moretto, N. / Facchinetti, F. ...Carzaniga, L. / Amari, G. / Rizzi, A. / Capaldi, C. / De Fanti, R. / Ghidini, E. / Villetti, G. / Carnini, C. / Moretto, N. / Facchinetti, F. / Caruso, P. / Marchini, G. / Battipaglia, L. / Patacchini, R. / Cenacchi, V. / Volta, R. / Amadei, F. / Pappani, A. / Capacchi, S. / Bagnacani, V. / Delcanale, M. / Puccini, P. / Catinella, S. / Civelli, M. / Armani, E.
External linksJ. Med. Chem. / PubMed:29200281
MethodsX-ray diffraction
Resolution1.6 Å
Structure data

PDB-5ohj:
Human phosphodiesterase 4B catalytic domain in complex with a pyrrolidinyl inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-9VE:
[(1~{S})-2-[3,5-bis(chloranyl)-1-oxidanyl-pyridin-1-ium-4-yl]-1-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]ethyl] (2~{S})-1-[3-(dimethylcarbamoyl)phenyl]sulfonylpyrrolidine-2-carboxylate

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / human phosphodiesterase 4B / pyrrolidinyl inhibitor / PDE4B

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