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TitleSyntheses and initial evaluation of a series of indolo-fused heterocyclic inhibitors of the polymerase enzyme (NS5B) of the hepatitis C virus.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 2925-2929, Year 2011
Publish dateDec 16, 2010 (structure data deposition date)
AuthorsZheng, X. / Hudyma, T.W. / Martin, S.W. / Bergstrom, C. / Ding, M. / He, F. / Romine, J. / Poss, M.A. / Kadow, J.F. / Chang, C.H. ...Zheng, X. / Hudyma, T.W. / Martin, S.W. / Bergstrom, C. / Ding, M. / He, F. / Romine, J. / Poss, M.A. / Kadow, J.F. / Chang, C.H. / Wan, J. / Witmer, M.R. / Morin, P. / Camac, D.M. / Sheriff, S. / Beno, B.R. / Rigat, K.L. / Wang, Y.K. / Fridell, R. / Lemm, J. / Qiu, D. / Liu, M. / Voss, S. / Pelosi, L. / Roberts, S.B. / Gao, M. / Knipe, J. / Gentles, R.G.
External linksBioorg. Med. Chem. Lett. / PubMed:21486696
MethodsX-ray diffraction
Resolution2.29 Å
Structure data

PDB-3q0z:
Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5h-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid
Method: X-RAY DIFFRACTION / Resolution: 2.29 Å

Chemicals

ChemComp-23E:
(2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • hepatitis c virus subtype 1b
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / NS5B / polymerase / HCV / fingers / PALM / THUMB / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR complex

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