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TitleHepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 5699-5716, Year 2017
Publish dateMay 3, 2017 (structure data deposition date)
AuthorsMatthew, A.N. / Zephyr, J. / Hill, C.J. / Jahangir, M. / Newton, A. / Petropoulos, C.J. / Huang, W. / Kurt-Yilmaz, N. / Schiffer, C.A. / Ali, A.
External linksJ. Med. Chem. / PubMed:28594175
MethodsX-ray diffraction
Resolution1.799 - 1.859 Å
Structure data

PDB-5voj:
Crystal structure of HCV NS3/4A protease in complex with JZ01-15, an analogue of 5172-mcP1P3
Method: X-RAY DIFFRACTION / Resolution: 1.799 Å

PDB-5vp9:
Crystal structure of HCV NS3/4A protease in complex with AM-07, an analogue of 5172-mcP1P3
Method: X-RAY DIFFRACTION / Resolution: 1.859 Å

Chemicals

ChemComp-9H4:
tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate

ChemComp-SO4:
SULFATE ION

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-9H7:
tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-2-{[3-(thiophen-2-yl)quinoxalin-2-yl]oxy}-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate

Source
  • hepatitis c virus subtype 1a
KeywordsHYDROLASE/HYDROLASE INHIBITOR / NS3/4a Protease / Hepatitis C virus / Drug Resistance / protease inhibitor / HYDROLASE-HYDROLASE INHIBITOR complex

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