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Structure paper

TitleTri-substituted acylhydrazines as tertiary amide bioisosteres: HCV NS5B polymerase inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 22, Page 4288-4292, Year 2012
Publish dateApr 13, 2012 (structure data deposition date)
AuthorsCanales, E. / Carlson, J.S. / Appleby, T. / Fenaux, M. / Lee, J. / Tian, Y. / Tirunagari, N. / Wong, M. / Watkins, W.J.
External linksBioorg. Med. Chem. Lett. / PubMed:22664130
MethodsX-ray diffraction
Resolution1.791 - 1.798 Å
Structure data

PDB-4eo6:
HCV NS5B polymerase inhibitors: Tri-substituted acylhydrazines as tertiary amide bioisosteres
Method: X-RAY DIFFRACTION / Resolution: 1.791 Å

PDB-4eo8:
HCV NS5B polymerase inhibitors: Tri-substituted acylhydrazines as tertiary amide bioisosteres
Method: X-RAY DIFFRACTION / Resolution: 1.798 Å

Chemicals

ChemComp-0S2:
5-(3,3-dimethylbut-1-yn-1-yl)-3-{[(trans-4-methylcyclohexyl)carbonyl](propan-2-yl)amino}thiophene-2-carboxylic acid

ChemComp-HOH:
WATER

ChemComp-0S3:
5-(3,3-dimethylbut-1-yn-1-yl)-3-{2,2-dimethyl-1-[(trans-4-methylcyclohexyl)carbonyl]hydrazinyl}thiophene-2-carboxylic acid

Source
  • hepatitis c virus (isolate bk)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / HCV / NS5B / RNA / RNA polymerase / polymerase inhibitor / Thumb Site 2 inhibitor / RNA-Dependent RNA Polymerase / TRANSFERASE-TRANSFERASE INHIBITOR complex

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