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Literature summary for 3.4.22.69 extracted from

  • Regnier, T.; Sarma, D.; Hidaka, K.; Bacha, U.; Freire, E.; Hayashi, Y.; Kiso, Y.
    New developments for the design, synthesis and biological evaluation of potent SARS-CoV 3CL(pro) inhibitors (2009), Bioorg. Med. Chem. Lett., 19, 2722-2727.
    View publication on PubMedView publication on EuropePMC
Search for more literature for 3.4.22.69

Inhibitors

Inhibitors Comment Organism Structure
benzyl [(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diethylamino)-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
-
 Severe acute respiratory syndrome-related coronavirus
benzyl [(2S)-1-[[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diethylamino)-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
-
 Severe acute respiratory syndrome-related coronavirus
benzyl [(2S)-1-[[(2S)-1-[[(2S)-5-(diethylamino)-1,5-dioxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
-
 Severe acute respiratory syndrome-related coronavirus
benzyl [(2S)-1-[[(2S)-5-(diethylamino)-1,5-dioxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
-
 Severe acute respiratory syndrome-related coronavirus
benzyl [(2S)-1-[[(2S)-5-(diethylamino)-1,5-dioxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
-
 Severe acute respiratory syndrome-related coronavirus
N-[(benzyloxy)carbonyl]-L-alanyl-L-valyl-N-[(3S)-6-(dipropylamino)-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
 Severe acute respiratory syndrome-related coronavirus
N-[(benzyloxy)carbonyl]-L-alanyl-L-valyl-N-[(3S)-6-amino-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
 Severe acute respiratory syndrome-related coronavirus
N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1,5-dioxo-1,5-di(1,3-thiazol-2-yl)pentan-2-yl]-L-leucinamide
-
 Severe acute respiratory syndrome-related coronavirus
N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(1,3-thiazol-2-yl)propan-2-yl]-L-leucinamide
-
 Severe acute respiratory syndrome-related coronavirus
N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-5-(morpholin-4-yl)-1,5-dioxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-L-leucinamide
-
 Severe acute respiratory syndrome-related coronavirus
N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-1,1,1-trifluoro-6-(morpholin-4-yl)-2,6-dioxohexan-3-yl]-L-leucinamide
-
 Severe acute respiratory syndrome-related coronavirus
N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-5-carboxy-1,1,1-trifluoro-2-oxopentan-3-yl]-L-leucinamide
-
 Severe acute respiratory syndrome-related coronavirus
N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-6-(dipropylamino)-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
 Severe acute respiratory syndrome-related coronavirus
N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-6-[benzyl(methyl)amino]-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
 Severe acute respiratory syndrome-related coronavirus
N2-[(benzyloxy)carbonyl]-N-[(3S)-6-(dipropylamino)-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
 Severe acute respiratory syndrome-related coronavirus

Organism

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

Substrates and Products (Substrate)

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

Synonyms

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

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.0022
-
 N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(1,3-thiazol-2-yl)propan-2-yl]-L-leucinamide
-
 Severe acute respiratory syndrome-related coronavirus
0.021
-
 N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-1,1,1-trifluoro-6-(morpholin-4-yl)-2,6-dioxohexan-3-yl]-L-leucinamide
-
 Severe acute respiratory syndrome-related coronavirus
0.0341
-
 N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-6-[benzyl(methyl)amino]-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
 Severe acute respiratory syndrome-related coronavirus
0.0452
-
 N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1,5-dioxo-1,5-di(1,3-thiazol-2-yl)pentan-2-yl]-L-leucinamide
-
 Severe acute respiratory syndrome-related coronavirus
0.0493
-
 benzyl [(2S)-1-[[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diethylamino)-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
-
 Severe acute respiratory syndrome-related coronavirus
0.112
-
 benzyl [(2S)-1-[[(2S)-1-[[(2S)-5-(diethylamino)-1,5-dioxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
-
 Severe acute respiratory syndrome-related coronavirus
0.116
-
 N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-5-carboxy-1,1,1-trifluoro-2-oxopentan-3-yl]-L-leucinamide
-
 Severe acute respiratory syndrome-related coronavirus
0.135
-
 N-[(benzyloxy)carbonyl]-L-alanyl-L-valyl-N-[(3S)-6-amino-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
 Severe acute respiratory syndrome-related coronavirus
0.159
-
 benzyl [(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diethylamino)-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
-
 Severe acute respiratory syndrome-related coronavirus
0.297
-
 N-[(benzyloxy)carbonyl]-L-alanyl-L-valyl-N-[(3S)-6-(dipropylamino)-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
 Severe acute respiratory syndrome-related coronavirus
0.363
-
 N-[(benzyloxy)carbonyl]-L-valyl-N-[(3S)-6-(dipropylamino)-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
 Severe acute respiratory syndrome-related coronavirus
0.462
-
 benzyl [(2S)-1-[[(2S)-5-(diethylamino)-1,5-dioxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
-
 Severe acute respiratory syndrome-related coronavirus
0.478
-
 N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-5-(morpholin-4-yl)-1,5-dioxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-L-leucinamide
-
 Severe acute respiratory syndrome-related coronavirus
0.584
-
 N2-[(benzyloxy)carbonyl]-N-[(3S)-6-(dipropylamino)-1,1,1-trifluoro-2,6-dioxohexan-3-yl]-L-leucinamide
-
 Severe acute respiratory syndrome-related coronavirus
0.614
-
 benzyl [(2S)-1-[[(2S)-5-(diethylamino)-1,5-dioxo-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
-
 Severe acute respiratory syndrome-related coronavirus