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Literature summary for 3.4.22.69 extracted from

  • Yoshizawa, S.I.; Hattori, Y.; Kobayashi, K.; Akaji, K.
    Evaluation of an octahydroisochromene scaffold used as a novel SARS 3CL protease inhibitor (2020), Bioorg. Med. Chem., 28, 115273 .
    View publication on PubMed
Search for more literature for 3.4.22.69

Inhibitors

Inhibitors Comment Organism Structure
(2S)-2-(8[(1R,3S,4aR,8aS)-1-[[butyl(methyl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
-
 Severe acute respiratory syndrome-related coronavirus
(2S)-2-([(1R,3R,4aR,8aS)-1-8[butyl(methyl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
-
 Severe acute respiratory syndrome-related coronavirus
(2S)-2-([[(1S,3R,4aR,8aS)-1-[[butyl(methyl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
-
 Severe acute respiratory syndrome-related coronavirus
(2S)-2-([[(1S,3S,4aR,8aS)-1[butyl(methyl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methylamino)-3-(1H-imidazol-4-yl)propanal
-
 Severe acute respiratory syndrome-related coronavirus
(2S)-2-([[(1S,4aR,8aS)-1-[[benzyl(methyl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
-
 Severe acute respiratory syndrome-related coronavirus
(2S)-2-([[(1S,4aR,8aS)-1-[[butyl(methyl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
-
 Severe acute respiratory syndrome-related coronavirus
(2S)-3-(1H-imidazol-4-yl)-2-([[(1S,4aR,8aS)-1-[[methyl(prop-2-en-1-yl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino)propanal
-
 Severe acute respiratory syndrome-related coronavirus
(S)-2-((((1S,3R,4aR,8aS)-1-((butyl(methyl)amino)methyl)octahydro-1H-isochromen-3-yl)methyl)amino)-3-(1H-imidazol-4-yl)propanal
-
 Severe acute respiratory syndrome-related coronavirus

Organism

Organism UniProt Comment Textmining
Severe acute respiratory syndrome-related coronavirus P0C6X7 human, i.e. SARS-CoV
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
H-Thr-Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys-NH2 + H2O
-
 Severe acute respiratory syndrome-related coronavirus ?
-
 ?

Synonyms

Synonyms Comment Organism
SARS 3CLpro
-
 Severe acute respiratory syndrome-related coronavirus

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.095
-
 pH 7.5, 37°C, mutant enzyme R188I Severe acute respiratory syndrome-related coronavirus (2S)-2-([[(1S,3S,4aR,8aS)-1[butyl(methyl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methylamino)-3-(1H-imidazol-4-yl)propanal
0.1
-
 pH 7.5, 37°C, mutant enzyme R188I Severe acute respiratory syndrome-related coronavirus (2S)-2-([[(1S,4aR,8aS)-1-[[butyl(methyl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
0.26
-
 pH 7.5, 37°C, mutant enzyme R188I Severe acute respiratory syndrome-related coronavirus (2S)-2-([[(1S,3R,4aR,8aS)-1-[[butyl(methyl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
0.42
-
 pH 7.5, 37°C, mutant enzyme R188I Severe acute respiratory syndrome-related coronavirus (2S)-3-(1H-imidazol-4-yl)-2-([[(1S,4aR,8aS)-1-[[methyl(prop-2-en-1-yl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino)propanal
0.42
-
 pH 7.5, 37°C, mutant enzyme R188I Severe acute respiratory syndrome-related coronavirus (2S)-2-([[(1S,4aR,8aS)-1-[[benzyl(methyl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
0.44
-
 pH 7.5, 37°C, mutant enzyme R188I Severe acute respiratory syndrome-related coronavirus (2S)-2-(8[(1R,3S,4aR,8aS)-1-[[butyl(methyl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal
0.78
-
 pH 7.5, 37°C, mutant enzyme R188I Severe acute respiratory syndrome-related coronavirus (2S)-2-([(1R,3R,4aR,8aS)-1-8[butyl(methyl)amino]methyl]octahydro-1H-2-benzopyran-3-yl]methyl]amino)-3-(1H-imidazol-4-yl)propanal