Literature summary for 3.4.22.28 extracted from

Webber, S.E.; Okano, K.; Little, T.L.; Reich, S.H.; Xin, Y.; Fuhrman, S.A.; Matthews, D.A.; Love, R.A.; Hendrickson, T.F.; Patick, A.K.; Meador, J.W., 3rd; Ferre, R.A.; Brown, E.L.; Ford, C.E.; Binford, S.L.; Worland, S.T.
Tripeptide aldehyde inhibitors of human rhinovirus 3C protease: design, synthesis, biological evaluation, and cocrystal structure solution of P1 glutamine isosteric replacements (1998), J. Med. Chem., 41, 2786-2805.

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Crystallization (Commentary)

Crystallization (Comment)	Organism
high-resolution cocrystal structures for the inhibitors bound to the enzyme benzyloxycarbonyl-Leu-Phe-(N,N-dimethyl-glutaminyl), benzyloxycarbonyl-Leu-Phe-[methional sulfoxide] or benzyloxycarbonyl-Leu-Phe-(N-acetyl-aminoalaninal)	enterovirus

Inhibitors

Inhibitors	Comment	Organism	Structure
benzyloxycarbonyl-Leu-Phe-(glutaminol)	-	enterovirus
benzyloxycarbonyl-Leu-Phe-L-(cyanomethyl-alaninal)	-	enterovirus
benzyloxycarbonyl-Leu-Phe-L-(N,N-dimethyl-glutaminyl)	-	enterovirus
benzyloxycarbonyl-Leu-Phe-L-(N-acetylamino-alaninal)	-	enterovirus
benzyloxycarbonyl-Leu-Phe-L-(N-benzoylamino-alaninal)	-	enterovirus
benzyloxycarbonyl-Leu-Phe-L-(N-butyloxycarbonylamino-alaninal)	-	enterovirus
benzyloxycarbonyl-Leu-Phe-L-(N-carbomethoxyamino-alaninal)	-	enterovirus
benzyloxycarbonyl-Leu-Phe-L-(N-formylamino-alaninal)	-	enterovirus
benzyloxycarbonyl-Leu-Phe-L-(N-isobutyrylamino-alaninal)	-	enterovirus
benzyloxycarbonyl-Leu-Phe-L-(N-propinylamino-alaninal)	-	enterovirus
benzyloxycarbonyl-Leu-Phe-L-glutaminal-hemiaminal	-	enterovirus
benzyloxycarbonyl-Leu-Phe-L-[(N-trifluoroacetyl)amino-alaninal]	-	enterovirus
benzyloxycarbonyl-Leu-Phe-L-[methional sulfoxide]	-	enterovirus
benzyloxycarbonyl-Leu-Phe-L-[N-(2-pyrrolidinone)-alaninal]	-	enterovirus
benzyloxycarbonyl-Leu-Phe-L-[N-(isoxazole-5-carbonyl)aminoalaninal]	-	enterovirus
benzyloxycarbonyl-Leu-Phe-L-[N-(N,N-dimethylcarbamoyl)amino-alaninal]	-	enterovirus
benzyloxycarbonyl-Leu-Phe-[(N-methylsulfonyl)amino-alaninal]	-	enterovirus
benzyloxycarbonyl-Leu-Phe-[N-(Me)Ac-amino-alaninal]	-	enterovirus

Organism

Organism	UniProt	Comment	Textmining
enterovirus	-	human rhinovirus	-

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
0.000005	-	benzyloxycarbonyl-Leu-Phe-L-(N,N-dimethyl-glutaminyl)	-	enterovirus
0.000005	-	benzyloxycarbonyl-Leu-Phe-L-[methional sulfoxide]	-	enterovirus
0.000005	-	benzyloxycarbonyl-Leu-Phe-L-[N-(isoxazole-5-carbonyl)aminoalaninal]	-	enterovirus
0.000006	-	benzyloxycarbonyl-Leu-Phe-L-(N-acetylamino-alaninal)	-	enterovirus
0.000007	-	benzyloxycarbonyl-Leu-Phe-L-(N-propinylamino-alaninal)	-	enterovirus
0.00001	-	benzyloxycarbonyl-Leu-Phe-L-[N-(N,N-dimethylcarbamoyl)amino-alaninal]	-	enterovirus
0.000012	-	benzyloxycarbonyl-Leu-Phe-L-(N-benzoylamino-alaninal)	-	enterovirus
0.000018	-	benzyloxycarbonyl-Leu-Phe-L-(N-isobutyrylamino-alaninal)	-	enterovirus
0.00004	-	benzyloxycarbonyl-Leu-Phe-(glutaminol)	-	enterovirus
0.000052	-	benzyloxycarbonyl-Leu-Phe-L-[N-(2-pyrrolidinone)-alaninal]	-	enterovirus
0.000066	-	benzyloxycarbonyl-Leu-Phe-L-(N-butyloxycarbonylamino-alaninal)	-	enterovirus
0.000073	-	benzyloxycarbonyl-Leu-Phe-L-(N-formylamino-alaninal)	-	enterovirus
0.000132	-	benzyloxycarbonyl-Leu-Phe-L-(N-carbomethoxyamino-alaninal)	-	enterovirus
0.000146	-	benzyloxycarbonyl-Leu-Phe-L-[(N-trifluoroacetyl)amino-alaninal]	-	enterovirus
0.00019	-	benzyloxycarbonyl-Leu-Phe-L-(cyanomethyl-alaninal)	-	enterovirus
0.000469	-	benzyloxycarbonyl-Leu-Phe-[N-(Me)Ac-amino-alaninal]	-	enterovirus
0.00064	-	benzyloxycarbonyl-Leu-Phe-[(N-methylsulfonyl)amino-alaninal]	-	enterovirus
0.0036	-	benzyloxycarbonyl-Leu-Phe-L-glutaminal-hemiaminal	-	enterovirus

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Release 2023.1 (January 2023)