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Literature summary for 3.4.22.69 extracted from

  • Teruya, K.; Hattori, Y.; Shimamoto, Y.; Kobayashi, K.; Sanjoh, A.; Nakagawa, A.; Yamashita, E.; Akaji, K.
    Structural basis for the development of SARS 3CL protease inhibitors from a peptide mimic to an aza-decaline scaffold (2016), Biopolymers, 106, 391-403 .
    View publication on PubMed
Search for more literature for 3.4.22.69

Cloned(Commentary)

Cloned (Comment) Organism
-
 Severe acute respiratory syndrome-related coronavirus

Crystallization (Commentary)

Crystallization (Comment) Organism
in complex with inhibitors (S)-2-[([(3S,4aR,8aS)-2-[3-(phenylamino)-propan-1-carbonyl]decahydroisoquinolin-3-yl]methyl)amino]-3-(1H-imidazol-4-yl)-propanal and (S)-2-[([(3R,4aS,8aR)-2-[3-(phenylamino)-propan-1-carbonyl]decahydroisoquinolin-3-yl]methyl)amino]-3-(1H-imidazol-4-yl)-propanal Severe acute respiratory syndrome-related coronavirus

Protein Variants

Protein Variants Comment Organism
R188I mature SARS 3CLpro is sensitive to degradation at the 188Arg/189Gln site, and the Arg188Ile mutant is resistant to this degradation Severe acute respiratory syndrome-related coronavirus

Inhibitors

Inhibitors Comment Organism Structure
(S)-2-[([(3R,4aS,8aR)-2-[3-(phenylamino)-propan-1-carbonyl]decahydroisoquinolin-3-yl]methyl)amino]-3-(1H-imidazol-4-yl)-propanal
-
 Severe acute respiratory syndrome-related coronavirus
(S)-2-[([(3S,4aR,8aS)-2-[3-(phenylamino)-propan-1-carbonyl]decahydroisoquinolin-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.
Thr-Ser-Ala-Val-Leu-Gln-Ser-Gly-Phe-Arg-Lys + H2O
-
 Severe acute respiratory syndrome-related coronavirus Thr-Ser-Ala-Val-Leu-Gln + Ser-Gly-Phe-Arg-Lys
-
 ?

Synonyms

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

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.215
-
 pH 7.5, 37°C Severe acute respiratory syndrome-related coronavirus (S)-2-[([(3R,4aS,8aR)-2-[3-(phenylamino)-propan-1-carbonyl]decahydroisoquinolin-3-yl]methyl)amino]-3-(1H-imidazol-4-yl)-propanal
0.276
-
 pH 7.5, 37°C Severe acute respiratory syndrome-related coronavirus (S)-2-[([(3S,4aR,8aS)-2-[3-(phenylamino)-propan-1-carbonyl]decahydroisoquinolin-3-yl]methyl)amino]-3-(1H-imidazol-4-yl)-propanal