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Structure paper

TitleDiscovery and Structural Optimization of Toddacoumalone Derivatives as Novel PDE4 Inhibitors for the Topical Treatment of Psoriasis.
Journal, issue, pagesJ. Med. Chem., Vol. 65, Page 4238-4254, Year 2022
Publish dateNov 29, 2021 (structure data deposition date)
AuthorsSong, Z. / Huang, Y.Y. / Hou, K.Q. / Liu, L. / Zhou, F. / Huang, Y. / Wan, G. / Luo, H.B. / Xiong, X.F.
External linksJ. Med. Chem. / PubMed:35188767
MethodsX-ray diffraction
Resolution2.10002940118 - 2.20007326465 Å
Structure data

PDB-7w4x:
Crystal structure of PDE4D catalytic domain complexed with 17
Method: X-RAY DIFFRACTION / Resolution: 2.20007326465 Å

PDB-7w4y:
Crystal structure of PDE4D catalytic domain complexed with 33a
Method: X-RAY DIFFRACTION / Resolution: 2.10002940118 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-8G7:
(2R,4S)-2-(2-hydroxyethyl)-2,6-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one

ChemComp-HOH:
WATER

ChemComp-8GO:
(2R,4S)-6-ethyl-2-(2-hydroxyethyl)-2,8-dimethyl-4-(2-methylprop-1-enyl)-3,4-dihydropyrano[3,2-c][1,8]naphthyridin-5-one

Source
  • homo sapiens (human)
KeywordsHYDROLASE / cAMP-specific 3' / 5'-cyclic phosphodiesterase 4D

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