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TitleMangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety.
Journal, issue, pagesJ. Med. Chem., Vol. 64, Page 13736-13751, Year 2021
Publish dateJun 11, 2021 (structure data deposition date)
AuthorsHuang, Y.Y. / Deng, J. / Tian, Y.J. / Liang, J. / Xie, X. / Huang, Y. / Zhu, J. / Zhu, Z. / Zhou, Q. / He, X. / Luo, H.B.
External linksJ. Med. Chem. / PubMed:34520193
MethodsX-ray diffraction
Resolution2.10001966681 - 2.20004160481 Å
Structure data

PDB-7f2k:
Crystal structure of PDE4D catalytic domain complexed with compound 17a
Method: X-RAY DIFFRACTION / Resolution: 2.10001966681 Å

PDB-7f2l:
Crystal structure of PDE4D catalytic domain complexed with compound 18a
Method: X-RAY DIFFRACTION / Resolution: 2.10111436093 Å

PDB-7f2m:
Crystal structure of PDE4D catalytic domain complexed with compound 18d
Method: X-RAY DIFFRACTION / Resolution: 2.20004160481 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-0X8:
(~{E})-4-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid

ChemComp-HOH:
WATER

ChemComp-1AS:
(~{E})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid

ChemComp-1GF:
(~{Z})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid

Source
  • homo sapiens (human)
KeywordsHYDROLASE / PDE4 inhibitor

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