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TitleDesign and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors
Journal, issue, pagesJ. Med. Chem., Vol. 59, Page 7651-7666, Year 2016
Publish dateJul 18, 2016 (structure data deposition date)
AuthorsQiu, Z. / Lin, X. / Zhou, M. / Liu, Y. / Zhu, W. / Chen, W. / Zhang, W. / Guo, L. / Liu, H. / Wu, G. ...Qiu, Z. / Lin, X. / Zhou, M. / Liu, Y. / Zhu, W. / Chen, W. / Zhang, W. / Guo, L. / Liu, H. / Wu, G. / Huang, M. / Jiang, M. / Xu, Z. / Zhou, Z. / Qin, N. / Ren, S. / Qiu, H. / Zhong, S. / Zhang, Y. / Wu, X. / Shi, L. / Shen, F. / Mao, Y. / Zhou, X. / Yang, W. / Wu, J.Z. / Yang, G. / Mayweg, A.V. / Shen, H.C. / Tang, G.
External linksJ. Med. Chem. / PubMed:27458651
MethodsX-ray diffraction
Resolution1.7 Å
Structure data

PDB-5gmz:
Hepatitis B virus core protein Y132A mutant in complex with 4-methyl heteroaryldihydropyrimidine
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-IPA:
ISOPROPYL ALCOHOL / alkaloid*YM

ChemComp-6XU:
(2S)-4,4-difluoro-1-[[(4S)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid

ChemComp-GOL:
GLYCEROL

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

Source
  • hepatitis b virus
KeywordsVIRAL PROTEIN / HBV / capid assembly / HAP / core protein

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