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Literature summary for 3.4.22.69 extracted from

  • Ohnishi, K.; Hattori, Y.; Kobayashi, K.; Akaji, K.
    Evaluation of a non-prime site substituent and warheads combined with a decahydroisoquinolin scaffold as a SARS 3CL protease inhibitor (2019), Bioorg. Med. Chem., 27, 425-435 .
    View publication on PubMed
Search for more literature for 3.4.22.69

Inhibitors

Inhibitors Comment Organism Structure
N-acetyl-L-threonyl-N-[(3R,4S,4aR,8aS)-2-(4-bromobenzoyl)-3-([[(2S)-1-(1H-imidazol-4-yl)-3-oxopropan-2-yl]amino]methyl)decahydroisoquinolin-4-yl]glycinamide
-
 Severe acute respiratory syndrome-related coronavirus
N-acetyl-L-threonyl-N-[(3R,4S,4aR,8aS)-3-([[(2S)-1,1-bis(ethylsulfanyl)-3-(1H-imidazol-4-yl)propan-2-yl]amino]methyl)-2-(4-bromobenzoyl)decahydroisoquinolin-4-yl]glycinamide
-
 Severe acute respiratory syndrome-related coronavirus

Organism

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

Synonyms

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

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.026
-
 pH 7.5, 37°C Severe acute respiratory syndrome-related coronavirus N-acetyl-L-threonyl-N-[(3R,4S,4aR,8aS)-2-(4-bromobenzoyl)-3-([[(2S)-1-(1H-imidazol-4-yl)-3-oxopropan-2-yl]amino]methyl)decahydroisoquinolin-4-yl]glycinamide
0.175
-
 pH 7.5, 37°C Severe acute respiratory syndrome-related coronavirus N-acetyl-L-threonyl-N-[(3R,4S,4aR,8aS)-3-([[(2S)-1,1-bis(ethylsulfanyl)-3-(1H-imidazol-4-yl)propan-2-yl]amino]methyl)-2-(4-bromobenzoyl)decahydroisoquinolin-4-yl]glycinamide

General Information

General Information Comment Organism
drug target combination of thioacetal functional group with decahydroisoquinolin or related fused-ring scaffold would be an approach to design inhibitors for SARS 3CL protease Severe acute respiratory syndrome-related coronavirus