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Structure paper

TitleRational Design of 2-Chloroadenine Derivatives as Highly Selective Phosphodiesterase 8A Inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 15852-15863, Year 2020
Publish dateAug 27, 2020 (structure data deposition date)
AuthorsHuang, Y. / Wu, X.N. / Zhou, Q. / Wu, Y. / Zheng, D. / Li, Z. / Guo, L. / Luo, H.B.
External linksJ. Med. Chem. / PubMed:33291877
MethodsX-ray diffraction
Resolution2.8 Å
Structure data

PDB-7cwa:
Crystal structure of PDE8A catalytic domain in complex with clofarabine
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-7cwf:
Crystal structure of PDE8A catalytic domain in complex with 2c
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

PDB-7cwg:
Crystal structure of PDE8A catalytic domain in complex with 3a
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-CFB:
2-CHLORO-9-(2-DEOXY-2-FLUORO-B -D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE

ChemComp-HOH:
WATER

ChemComp-GJR:
9-[[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]methyl]-2-chloranyl-purin-6-amine

ChemComp-GJU:
9-[(1~{S})-1-[4-[2,2-bis(fluoranyl)ethoxy]pyridin-2-yl]ethyl]-2-chloranyl-purin-6-amine

Source
  • homo sapiens (human)
KeywordsHYDROLASE / PDE8A inhibitor / cAMP-specific / Selective PDE8A inhibitor

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