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PDBe Entry: 2oc1 
Structure of the HCV NS3/4A Protease Inhibitor CVS4819
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Viral Protein
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X-RAY DIFFRACTION
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Resolution: 2.7 Å, R-factor: 18.9%, Free R-factor: 25.9%, Spacegroup: H 3 2
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31/07/2007, deposition: 20/12/2006, last revision: 24/02/2009
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Prongay, A.J.; Guo, Z.; Yao, N.; Fischmann, T.; Strickland, C.; Myers, Jr., J.; Weber, P.C.; Malcolm, B.; Beyer, B.M.; Ingram, R.; Pichardo, J.; Hong, Z.; Prosise, W.W.; Ramanathan, L.; Taremi, S.S.; Yarosh-Tomaine, T.; Zhang, R.; Senior, M.; Yang, R.; Arasappan, A.; Bennett, F.; Bogen, S.F.; Chen, K.; Jao, E.; Liu, Y.; Love, R.G.; Saksena, A.K.; Venkatraman, S.; Girijavallabhan, V.; Njoroge, F.G.; Madison, V.
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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.
J.MED.CHEM. vol:50, pag:2310-2318 (2007) [PubMed ID 17444623 ]
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Hepatitis C Virus, HCV, NS3 protease domain, ketoamide inhibitor, Viral Protein
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Hepatitis C virus 11103(A C)
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Polyprotein,Genome polyprotein Q9ELS8 (A C)
Polyprotein,Genome polyprotein Q9QP06 (B D)
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A, B, C, D
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1a1r, 2a4g, 2a4q, 2a4r, 2fm2, 2f9v
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| A, C |
Hepatitis C virus |
Protein |
Q9ELS8 (Q9ELS8_9HEPC)
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200 |
91% |
| B, D |
Hepatitis C virus |
Protein |
Q9QP06 (Q9QP06_9HEPC)
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23 |
95% |
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| A, C |
ZINC ION |
ZN
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| A |
(2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID |
HU2
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