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TitleStructure-Activity Relationship (SAR) Development and Discovery of Potent Indole-Based Inhibitors of the Hepatitis C Virus (HCV) NS5B Polymerase.
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 754-765, Year 2012
Publish dateSep 26, 2011 (structure data deposition date)
AuthorsChen, K.X. / Vibulbhan, B. / Yang, W. / Sannigrahi, M. / Velazquez, F. / Chan, T.Y. / Venkatraman, S. / Anilkumar, G.N. / Zeng, Q. / Bennet, F. ...Chen, K.X. / Vibulbhan, B. / Yang, W. / Sannigrahi, M. / Velazquez, F. / Chan, T.Y. / Venkatraman, S. / Anilkumar, G.N. / Zeng, Q. / Bennet, F. / Jiang, Y. / Lesburg, C.A. / Duca, J. / Pinto, P. / Gavalas, S. / Huang, Y. / Wu, W. / Selyutin, O. / Agrawal, S. / Feld, B. / Huang, H.C. / Li, C. / Cheng, K.C. / Shih, N.Y. / Kozlowski, J.A. / Rosenblum, S.B. / Njoroge, F.G.
External linksJ. Med. Chem. / PubMed:22148957
MethodsX-ray diffraction
Resolution1.65 Å
Structure data

PDB-3tyv:
SAR development and discovery of potent indole-based inhibitors of the hepatitis C virus NS5B polymerase
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-HI3:
N-(cyclopropylsulfonyl)-1-(2,5-difluorobenzyl)-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxamide

ChemComp-HOH:
WATER

Source
  • hepatitis c virus
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / RNA-dependent RNA polymerase / TRANSFERASE-TRANSFERASE INHIBITOR complex

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