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Literature summary for 3.4.21.98 extracted from

  • Parsy, C.; Alexandre, F.R.; Brandt, G.; Caillet, C.; Cappelle, S.; Chaves, D.; Convard, T.; Derock, M.; Gloux, D.; Griffon, Y.; Lallos, L.; Leroy, F.; Liuzzi, M.; Loi, A.G.; Moulat, L.; Musiu, C.; Rahali, H.; Roques, V.; Seifer, M.; Standring, D.; Surleraux, D.
    Structure-based design of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A serine protease (2014), Bioorg. Med. Chem. Lett., 24, 4444-4449.
    View publication on PubMed

Cloned(Commentary)

Cloned (Comment) Organism
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Hepacivirus C

Crystallization (Commentary)

Crystallization (Comment) Organism
in complex with inhibitor (4R,6S,7Z,15S,17S)-17-[((8-chloro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl)oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0-4,6-]heptadec-7-ene-4-carboxamide, to 2.84 A resolution. Structure shows that the canonical hydrogen bonds between the amide moieties of the inhibitor and the NS3 protease main chain from which amino acids R155 and A157 are involved in hydrogen bond donor/acceptor interactions are maintained Hepacivirus C

Inhibitors

Inhibitors Comment Organism Structure
(4R,6S,7Z,15S,17S)-17-[((7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl)oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0-4,6-]heptadec-7-ene-4-carboxamide compound displays high mean clearance of 150 micro per minand mg protein in rat, cynomolgus monkey and human liver microsomes, along with a short half life of less than 10 min Hepacivirus C
(4R,6S,7Z,15S,17S)-17-[((8-chloro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl)oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0-4,6-]heptadec-7-ene-4-carboxamide
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Hepacivirus C

Organism

Organism UniProt Comment Textmining
Hepacivirus C Q0ZNA6
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IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0000013
-
pH not specified in the publication, temperature not specified in the publication Hepacivirus C (4R,6S,7Z,15S,17S)-17-[((8-chloro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl)oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0-4,6-]heptadec-7-ene-4-carboxamide
0.0000021
-
pH not specified in the publication, temperature not specified in the publication Hepacivirus C (4R,6S,7Z,15S,17S)-17-[((7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl)oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0-4,6-]heptadec-7-ene-4-carboxamide