+Search query
-Structure paper
Title | Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization |
---|---|
Journal, issue, pages | J. Med. Chem., Vol. 50, Page 2310-2318, Year 2007 |
Publish date | Dec 12, 2006 (structure data deposition date) |
Authors | Prongay, A.J. / Guo, Z. / Yao, N. / Pichardo, J. / Fischmann, T. / Strickland, C. / Myers, J. / Weber, P.C. / Beyer, B.M. / Ingram, R. ...Prongay, A.J. / Guo, Z. / Yao, N. / Pichardo, J. / Fischmann, T. / Strickland, C. / Myers, J. / Weber, P.C. / Beyer, B.M. / Ingram, R. / Hong, Z. / Prosise, W.W. / Ramanathan, L. / Taremi, S.S. / Yarosh-Tomaine, T. / Zhang, R. / Senior, M. / Yang, R.S. / Malcolm, B. / Arasappan, A. / Bennett, F. / Bogen, S.L. / Chen, K. / Jao, E. / Liu, Y.T. / Lovey, R.G. / Saksena, A.K. / Venkatraman, S. / Girijavallabhan, V. / Njoroge, F.G. / Madison, V. |
External links | J. Med. Chem. / PubMed:17444623 |
Methods | X-ray diffraction |
Resolution | 2 - 2.7 Å |
Structure data | PDB-2o8m: PDB-2obo: PDB-2obq: PDB-2oc0: PDB-2oc1: PDB-2oc7: PDB-2oc8: |
Chemicals | ChemComp-ZN: ChemComp-NA: ChemComp-HOH: ChemComp-BME: ChemComp-HUD: ChemComp-HU1: ChemComp-HU2: ChemComp-HU4: ChemComp-U5G: |
Source |
|
Keywords | VIRAL PROTEIN / SERINE PROTEASE / NS3 / NS4A / HEPATITIS C VIRUS / HYDROLASE/HYDROLASE INHIBITOR / ketoamide inhibitor / HYDROLASE-HYDROLASE INHIBITOR complex / HCV / NS3 protease / NS3 protease domain |