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Structure paper

Title1,5-Benzodiazepine inhibitors of HCV NS5B polymerase.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 19, Page 2492-2496, Year 2009
Publish dateMar 19, 2009 (structure data deposition date)
AuthorsMcGowan, D. / Nyanguile, O. / Cummings, M.D. / Vendeville, S. / Vandyck, K. / Van den Broeck, W. / Boutton, C.W. / De Bondt, H. / Quirynen, L. / Amssoms, K. ...McGowan, D. / Nyanguile, O. / Cummings, M.D. / Vendeville, S. / Vandyck, K. / Van den Broeck, W. / Boutton, C.W. / De Bondt, H. / Quirynen, L. / Amssoms, K. / Bonfanti, J.F. / Last, S. / Rombauts, K. / Tahri, A. / Hu, L. / Delouvroy, F. / Vermeiren, K. / Vandercruyssen, G. / Van der Helm, L. / Cleiren, E. / Mostmans, W. / Lory, P. / Pille, G. / Van Emelen, K. / Fanning, G. / Pauwels, F. / Lin, T.I. / Simmen, K. / Raboisson, P.
External linksBioorg. Med. Chem. Lett. / PubMed:19342234
MethodsX-ray diffraction
Resolution2.85 Å
Structure data

PDB-3gol:
HCV NS5b polymerase in complex with 1,5 benzodiazepine inhibitor (R)-11d
Method: X-RAY DIFFRACTION / Resolution: 2.85 Å

Chemicals

ChemComp-XND:
(11R)-10-acetyl-11-(2,4-dichlorophenyl)-6-hydroxy-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

Source
  • hepatitis c virus isolate
KeywordsTRANSFERASE / 1 / 5-Benzodiazepine / HCV Polymerase / NS5B / medicinal chemistry / 1b-J4

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