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Structure paper

TitleDesign, synthesis, and biological evaluation of tetrahydroisoquinolines derivatives as novel, selective PDE4 inhibitors for antipsoriasis treatment.
Journal, issue, pagesEur. J. Med. Chem., Vol. 211, Page 113004-113004, Year 2021
Publish dateJun 12, 2020 (structure data deposition date)
AuthorsZhang, R. / Li, H. / Zhang, X. / Li, J. / Su, H. / Lu, Q. / Dong, G. / Dou, H. / Fan, C. / Gu, Z. ...Zhang, R. / Li, H. / Zhang, X. / Li, J. / Su, H. / Lu, Q. / Dong, G. / Dou, H. / Fan, C. / Gu, Z. / Mu, Q. / Tang, W. / Xu, Y. / Liu, H.
External linksEur. J. Med. Chem. / PubMed:33218684
MethodsX-ray diffraction
Resolution1.5 - 1.59 Å
Structure data

PDB-7cbj:
Crystal structure of PDE4D catalytic domain in complex with compound 36
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

PDB-7cbq:
Crystal structure of PDE4D catalytic domain in complex with Apremilast
Method: X-RAY DIFFRACTION / Resolution: 1.59 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-FTX:
(1S)-1-[(7-chloranyl-1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

ChemComp-A9L:
N-{2-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide / medication, inhibitor*YM

Source
  • homo sapiens (human)
KeywordsHYDROLASE / PDE4D / inhibitor / Complex structure / METAL BINDING PROTEIN

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