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Structure paper

TitleP2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 16, Page 3960-3965, Year 2006
Publish dateMay 2, 2006 (structure data deposition date)
AuthorsArasappan, A. / Njoroge, F.G. / Chen, K.X. / Venkatraman, S. / Parekh, T.N. / Gu, H. / Pichardo, J. / Butkiewicz, N. / Prongay, A. / Madison, V. / Girijavallabhan, V.
External linksBioorg. Med. Chem. Lett. / PubMed:16730985
MethodsX-ray diffraction
Resolution2.5 Å
Structure data

PDB-2gvf:
HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-NHN:
(6R,8S,11S)-11-CYCLOHEXYL-N-(1-{[(2-{[(1S)-2-(DIMETHYLAMINO)-2-OXO-1-PHENYLETHYL]AMINO}-2-OXOETHYL)AMINO](OXO)ACETYL}BUTYL)-10,13-DIOXO-2,5-DIOXA-9,12-DIAZATRICYCLO[14.3.1.1~6,9~]HENICOSA-1(20),16,18-TRIENE-8-CARBOXAMIDE

ChemComp-HOH:
WATER

Source
  • hepatitis c virus
KeywordsHYDROLASE / hepatitis C / protease / ketoamide inhibitor

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