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TitleDiscovery of BMS-986144, a Third-Generation, Pan-Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 14740-14760, Year 2020
Publish dateSep 26, 2020 (structure data deposition date)
AuthorsSun, L.Q. / Mull, E. / D'Andrea, S. / Zheng, B. / Hiebert, S. / Gillis, E. / Bowsher, M. / Kandhasamy, S. / Baratam, V.R. / Puttaswamy, S. ...Sun, L.Q. / Mull, E. / D'Andrea, S. / Zheng, B. / Hiebert, S. / Gillis, E. / Bowsher, M. / Kandhasamy, S. / Baratam, V.R. / Puttaswamy, S. / Pulicharla, N. / Vishwakrishnan, S. / Reddy, S. / Trivedi, R. / Sinha, S. / Sivaprasad, S. / Rao, A. / Desai, S. / Ghosh, K. / Anumula, R. / Kumar, A. / Rajamani, R. / Wang, Y.K. / Fang, H. / Mathur, A. / Rampulla, R. / Zvyaga, T.A. / Mosure, K. / Jenkins, S. / Falk, P. / Tagore, D.M. / Chen, C. / Rendunchintala, K. / Loy, J. / Meanwell, N.A. / McPhee, F. / Scola, P.M.
External linksJ. Med. Chem. / PubMed:33226226
MethodsX-ray diffraction
Resolution2.15 Å
Structure data

PDB-7d5l:
Discovery of BMS-986144, a Third Generation, Pan Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-GXO:
[1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate

ChemComp-HOH:
WATER

Source
  • hepacivirus c
KeywordsVIRAL PROTEIN / NS3/4A Protease

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