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TitleDiscovery and structural diversity of the hepatitis C virus NS3/4A serine protease inhibitor series leading to clinical candidate IDX320.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 25, Page 5427-5436, Year 2015
Publish dateJul 11, 2014 (structure data deposition date)
AuthorsParsy, C.C. / Alexandre, F.R. / Bidau, V. / Bonnaterre, F. / Brandt, G. / Caillet, C. / Cappelle, S. / Chaves, D. / Convard, T. / Derock, M. ...Parsy, C.C. / Alexandre, F.R. / Bidau, V. / Bonnaterre, F. / Brandt, G. / Caillet, C. / Cappelle, S. / Chaves, D. / Convard, T. / Derock, M. / Gloux, D. / Griffon, Y. / Lallos, L.B. / Leroy, F. / Liuzzi, M. / Loi, A.G. / Moulat, L. / Chiara, M. / Rahali, H. / Roques, V. / Rosinovsky, E. / Savin, S. / Seifer, M. / Standring, D. / Surleraux, D.
External linksBioorg. Med. Chem. Lett. / PubMed:26410074
MethodsX-ray diffraction
Resolution2.8 Å
Structure data

PDB-4u01:
HCV NS3/4A serine protease in complex with 6570
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-39W:
(2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide

ChemComp-ZN:
Unknown entry

ChemComp-CL:
Unknown entry

Source
  • hepatitis c virus (isolate con1)
  • hepatitis c virus
KeywordsHYDROLASE / HVC / NS3/4A protease / drug design / PROTEROS BIOSTRUCTURES GMBH

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