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TitleCandidate selection and preclinical evaluation culminating in the discovery of Narlaprevir (SCH 900518): A potent, selective and orally efficacious second generation HCV NS3 serine protease inhibitor
Journal, issue, pagesTo be Published
Publish dateFeb 4, 2010 (structure data deposition date)
AuthorsArasappan, A. / Bennett, F. / Bogen, S.L. / Blackman, M. / Chen, K. / Hendrata, S. / Huang, Y. / Huelgas, R.M. / Nair, L. / Padilla, A.I. ...Arasappan, A. / Bennett, F. / Bogen, S.L. / Blackman, M. / Chen, K. / Hendrata, S. / Huang, Y. / Huelgas, R.M. / Nair, L. / Padilla, A.I. / Pan, W. / Pike, R. / Pinto, P. / Ruan, S. / Sannigrahi, M. / Velaquez, F. / Vibulbhan, B. / Wu, W. / Yang, W. / Saksena, A.K. / Girijavallabhan, V. / Shih, N.Y. / Kong, J. / Meng, T. / Jin, Y. / Wong, J. / McNamara, P. / Prongay, A. / Madison, V. / Piwinski, J.J. / Cheng, K.C. / Morrison, R. / Malcolm, B. / Tong, X. / Ralston, R. / Njoroge, F.G.
External linksSearch PubMed
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-3lon:
HCV NS3-4a protease domain with ketoamide inhibitor narlaprevir
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-NNA:
(1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide / medication, antivirus, inhibitor*YM

ChemComp-BME:
BETA-MERCAPTOETHANOL

ChemComp-HOH:
WATER

Source
  • hepatitis c virus subtype 1a
KeywordsVIRAL PROTEIN/INHIBITOR / HEPATITIS C VIRUS / NS3 PROTEASE DOMAIN / SERINE PROTEASE / MACROCYCLIC KETOAMIDE INHIBITOR / HYDROLASE / ATP-binding / Capsid protein / Envelope protein / Helicase / Host membrane / Membrane / Nucleotide-binding / RNA replication / Transmembrane / Virion / VIRAL PROTEIN / VIRAL PROTEIN-INHIBITOR complex

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