Literature summary for 3.4.22.B79 extracted from

El-labbad, E.M.; Ismail, M.A.; Abou Ei Ella, D.A.; Ahmed, M.; Wang, F.; Barakat, K.H.; Abouzid, K.A.
Discovery of novel peptidomimetics as irreversible CHIKV NsP2 protease inhibitors using quantum mechanical-based ligand descriptors (2015), Chem. Biol. Drug Des., 86, 1518-1527 .

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Inhibitors

Inhibitors	Comment	Organism	Structure
(5E)-6-(4-methoxyphenyl)-4-oxo-N-(2-phenylethyl)hex-5-enamide	topographical peptidomimetic, binds covalently leading to permanent enzyme inactivation via Michael adduct formation between the alpha/beta-unsaturated ketone functionality and the active site. 100% inhibition at 0.059 mg/ml, EC50 for cell-based assay 0.0089 mg/ml	Chikungunya virus
(5E)-N-benzyl-4-oxo-6-phenylhex-5-enamide	topographical peptidomimetic, binds covalently leading to permanent enzyme inactivation via Michael adduct formation between the alpha/beta-unsaturated ketone functionality and the active site. 100% inhibition at 0.068 mg/ml, EC50 for cell-based assay 0.0088 mg/ml	Chikungunya virus

Organism

Organism	UniProt	Comment	Textmining
Chikungunya virus	C8YZ72	truncated non-structural polyprotein	-
Chikungunya virus 899	C8YZ72	truncated non-structural polyprotein	-

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Release 2023.1 (January 2023)