Crystallization (Comment) | Organism |
---|---|
HCV NS5B polymerase by hanging drop method at room temperature using a well buffer of 20% PEG 4000, 50 mM ammonium sulfate, 100 mM sodium acetate, pH 4.7, with 5 mM DTT, complexes are prepared by soaking the crystals for 3-24 h in solutions containing 15-20% DMSO, 20% glycerol, 20% PEG 4000, 0.1 M Hepes and 10 mM MgCl2 at pH 7.6 and an inhibitor concentration of 2-10 mM, X-ray diffraction structure determination and analysis at 2.6 A resolution for compound 29 and 2.15 A for compound 49 | Hepacivirus C |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
additional information | 5,5- and 6,6-dialkyl-5,6-dihydro-1H-pyridin-2-ones as potent inhibitors of HCV NS5B polymerase, overview | Hepacivirus C | |
N-[3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(4R)-5-(4-fluorobenzyl)-8-hydroxy-4-methyl-6-oxo-5-azaspiro[2.5]oct-7-en-7-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5R)-1-cyclobutyl-4-hydroxy-5-methyl-2-oxo-5-propyl-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5R)-1-cyclobutyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5R)-1-cyclobutyl-5-(2-cyclopropylethyl)-4-hydroxy-5-methyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5R)-1-cyclobutyl-5-(3,3-dimethylbutyl)-4-hydroxy-5-methyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5R)-1-cyclohexyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5R)-1-cyclohexyl-5-(3,3-dimethylbutyl)-4-hydroxy-5-methyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5R)-1-cyclohexyl-5-(4-fluorobenzyl)-4-hydroxy-5-methyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5R)-1-cyclopentyl-4-hydroxy-5-(3-methylbut-2-en-1-yl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5R)-1-cyclopentyl-4-hydroxy-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5R)-1-cyclopentyl-4-hydroxy-5-methyl-2-oxo-5-prop-2-yn-1-yl-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5R)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5R)-1-cyclopentyl-5-(2-cyclopropylethyl)-4-hydroxy-5-methyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5R)-1-cyclopentyl-5-(3,3-dimethylbutyl)-4-hydroxy-5-methyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5R)-1-cyclopentyl-5-(4-fluorobenzyl)-4-hydroxy-5-methyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5R)-1-cyclopentyl-5-ethyl-4-hydroxy-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5R)-1-cyclopropyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5R)-1-cyclopropyl-5-(3,3-dimethylbutyl)-4-hydroxy-5-methyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5R)-1-cyclopropyl-5-(4-fluorobenzyl)-4-hydroxy-5-methyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5R)-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1-phenyl-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5R)-5-butyl-1-cyclobutyl-4-hydroxy-5-methyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5R)-6-(4-fluorobenzyl)-9-hydroxy-5-methyl-7-oxo-6-azaspiro[3.5]non-8-en-8-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5S)-1,5-bis(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5S)-1-(4-fluorobenzyl)-4-hydroxy-5-(3-methylbut-2-en-1-yl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5S)-1-(4-fluorobenzyl)-4-hydroxy-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5S)-1-(4-fluorobenzyl)-4-hydroxy-5-methyl-2-oxo-5-phenyl-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5S)-1-(4-fluorobenzyl)-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(5S)-5-ethyl-1-(4-fluorobenzyl)-4-hydroxy-5-methyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(6R)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-6-phenyl-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(6R)-1-(4-fluorobenzyl)-4-hydroxy-6-(1-methylethyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(6R)-1-(4-fluorobenzyl)-4-hydroxy-6-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(6R)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(6R)-6-tert-butyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(6S)-1-(4-fluorobenzyl)-4-hydroxy-6-(1-methylethyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(6S)-1-(4-fluorobenzyl)-6-(4-fluorophenyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(6S)-6-(1-ethylpropyl)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[(6S)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[1-(4-fluorobenzyl)-4-hydroxy-5,5-dimethyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[6-(4-fluorobenzyl)-9-hydroxy-7-oxo-6-azaspiro[4.5]dec-8-en-8-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C | |
N-[3-[7-(4-fluorobenzyl)-10-hydroxy-8-oxo-7-azaspiro[4.5]dec-9-en-9-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | - |
Hepacivirus C |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Hepacivirus C | P26663 | i.e. HCV, genotype 1b, strain BKDELTA21 | - |
Synonyms | Comment | Organism |
---|---|---|
NS5B | - |
Hepacivirus C |
NS5B polymerase | - |
Hepacivirus C |
RNA-dependent RNA polymerase | - |
Hepacivirus C |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.000025 | - |
above | Hepacivirus C | N-[3-[(4aR,7aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-2,4a,5,6,7,7a-hexahydro-1H-cyclopenta[b]pyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.000025 | - |
above | Hepacivirus C | N-[3-[(5R)-1-cyclobutyl-5-(2-cyclopropylethyl)-4-hydroxy-5-methyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.000025 | - |
above | Hepacivirus C | N-[3-[(6S)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.000026 | - |
- |
Hepacivirus C | N-[3-[(6R)-1-(4-fluorobenzyl)-4-hydroxy-6-(1-methylethyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.000037 | - |
- |
Hepacivirus C | N-[3-[(4R)-5-(4-fluorobenzyl)-8-hydroxy-4-methyl-6-oxo-5-azaspiro[2.5]oct-7-en-7-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.000042 | - |
- |
Hepacivirus C | N-[3-[(6R)-6-ethyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.000042 | - |
- |
Hepacivirus C | N-[3-[(6R)-6-tert-butyl-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.000044 | - |
- |
Hepacivirus C | N-[3-[(5R)-1-cyclobutyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.000045 | - |
- |
Hepacivirus C | N-[3-[(5S)-5-ethyl-1-(4-fluorobenzyl)-4-hydroxy-5-methyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.000048 | - |
- |
Hepacivirus C | N-[3-[(5R)-1-cyclopentyl-5-ethyl-4-hydroxy-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.000049 | - |
- |
Hepacivirus C | N-[3-[(5R)-5-butyl-1-cyclobutyl-4-hydroxy-5-methyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.000057 | - |
- |
Hepacivirus C | N-[3-[(5R)-1-cyclopentyl-5-(2-cyclopropylethyl)-4-hydroxy-5-methyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.000061 | - |
- |
Hepacivirus C | N-[3-[(5R)-1-cyclopentyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.000061 | - |
- |
Hepacivirus C | N-[3-[(6S)-6-(1-ethylpropyl)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.000068 | - |
- |
Hepacivirus C | N-[3-[(5R)-1-cyclopropyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.000075 | - |
- |
Hepacivirus C | N-[3-[(5R)-1-cyclopropyl-5-(3,3-dimethylbutyl)-4-hydroxy-5-methyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.000085 | - |
- |
Hepacivirus C | N-[3-[1-(4-fluorobenzyl)-4-hydroxy-5,5-dimethyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.0001 | - |
- |
Hepacivirus C | N-[3-[(6S)-1-(4-fluorobenzyl)-6-(4-fluorophenyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.00011 | - |
- |
Hepacivirus C | N-[3-[(5R)-1-cyclobutyl-4-hydroxy-5-methyl-2-oxo-5-propyl-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.00012 | - |
- |
Hepacivirus C | N-[3-[(5R)-1-cyclopentyl-4-hydroxy-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.00012 | - |
- |
Hepacivirus C | N-[3-[(5R)-6-(4-fluorobenzyl)-9-hydroxy-5-methyl-7-oxo-6-azaspiro[3.5]non-8-en-8-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.00015 | - |
- |
Hepacivirus C | N-[3-[6-(4-fluorobenzyl)-9-hydroxy-7-oxo-6-azaspiro[4.5]dec-8-en-8-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.00017 | - |
- |
Hepacivirus C | N-[3-[(5R)-1-cyclobutyl-5-(3,3-dimethylbutyl)-4-hydroxy-5-methyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.00017 | - |
- |
Hepacivirus C | N-[3-[(5R)-1-cyclohexyl-4-hydroxy-5-methyl-5-(3-methylbutyl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.00017 | - |
- |
Hepacivirus C | N-[3-[(6R)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-6-phenyl-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.00018 | - |
- |
Hepacivirus C | N-[3-[1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.00022 | - |
- |
Hepacivirus C | N-[3-[7-(4-fluorobenzyl)-10-hydroxy-8-oxo-7-azaspiro[4.5]dec-9-en-9-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.00065 | - |
- |
Hepacivirus C | N-[3-[(5R)-1-cyclopentyl-4-hydroxy-5-(3-methylbut-2-en-1-yl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide | |
0.0014 | - |
- |
Hepacivirus C | N-[3-[(5S)-1-(4-fluorobenzyl)-4-hydroxy-5-(3-methylbut-2-en-1-yl)-2-oxo-1,2,5,6-tetrahydropyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide |