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Literature summary for 3.4.22.69 extracted from

  • Zhang, J.; Huitema, C.; Niu, C.; Yin, J.; James, M.N.; Eltis, L.D.; Vederas, J.C.
    Aryl methylene ketones and fluorinated methylene ketones as reversible inhibitors for severe acute respiratory syndrome (SARS) 3C-like proteinase (2008), Bioorg. Chem., 36, 229-240.
    View publication on PubMed
Search for more literature for 3.4.22.69

Application

Application Comment Organism
medicine this enzyme is a target for the design of potential anti-SARS drugs Severe acute respiratory syndrome-related coronavirus

Inhibitors

Inhibitors Comment Organism Structure
2,2-difluoro-2-(pyridin-3-yl)-1-(thiophen-2-yl)ethanone 0.1 mM, 38% inhibition Severe acute respiratory syndrome-related coronavirus
2-(3-chlorophenyl)-2,2-difluoro-1-(furan-2-yl)ethanone 0.1 mM, 13% inhibition Severe acute respiratory syndrome-related coronavirus
2-(3-chlorophenyl)-2-fluoro-1-(furan-2-yl)ethanone 0.1 mM, 15% inhibition Severe acute respiratory syndrome-related coronavirus
2-(5-bromopyridin-3-yl)-1-(5-(4-chlorophenyl)furan-2-yl)-2-fluoroethanone
-
 Severe acute respiratory syndrome-related coronavirus
2-(5-bromopyridin-3-yl)-1-(5-(4-chlorophenyl)furan-2-yl)ethanone
-
 Severe acute respiratory syndrome-related coronavirus
2-(5-bromopyridin-3-yl)-2,2-difluoro-1-(furan-2-yl)ethanone 0.1 mM, 21% inhibition Severe acute respiratory syndrome-related coronavirus
2-(5-chloropyridin-3-yl)-2,2-difluoro-1-(furan-2-yl)ethanone 0.1 mM, 27% inhibition Severe acute respiratory syndrome-related coronavirus
2-(5-chloropyridin-3-yl)-2-fluoro-1-(furan-2-yl)ethanone 0.1 mM, 14% inhibition Severe acute respiratory syndrome-related coronavirus
2-fluoro-2-(pyridin-3-yl)-1-(thiophen-2-yl)ethanone 0.1 mM, 10% inhibition Severe acute respiratory syndrome-related coronavirus

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
coronavirus polyprotein + H2O Severe acute respiratory syndrome-related coronavirus 3CLpro processes the translated polyproteins to functional viral proteins ?
-
 ?

Organism

Organism UniProt Comment Textmining
Severe acute respiratory syndrome-related coronavirus
-
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2-aminobenzoyl-SVTLQSG-Tyr(NO2)Arg + H2O
-
 Severe acute respiratory syndrome-related coronavirus ?
-
 ?
coronavirus polyprotein + H2O 3CLpro processes the translated polyproteins to functional viral proteins Severe acute respiratory syndrome-related coronavirus ?
-
 ?

Synonyms

Synonyms Comment Organism
3cLpro
-
 Severe acute respiratory syndrome-related coronavirus

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.013
-
-
 Severe acute respiratory syndrome-related coronavirus 2-(5-bromopyridin-3-yl)-1-(5-(4-chlorophenyl)furan-2-yl)ethanone
0.028
-
-
 Severe acute respiratory syndrome-related coronavirus 2-(5-bromopyridin-3-yl)-1-(5-(4-chlorophenyl)furan-2-yl)-2-fluoroethanone
0.057
-
-
 Severe acute respiratory syndrome-related coronavirus 2-(5-bromopyridin-3-yl)-1-(5-(4-chlorophenyl)furan-2-yl)-2,2-difluoroethanone
0.075
-
-
 Severe acute respiratory syndrome-related coronavirus 2-(5-bromopyridin-3-yl)-1-(2-(4-chlorophenyl)oxazol-5-yl)ethanone