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. 2021 Jan 27;12(2):295–301. doi: 10.1021/acsmedchemlett.0c00674

Table 3. Second-Generation Dipeptides.

graphic file with name ml0c00674_0006.jpg

compd. AA1 AA2 R IC50 (μM)a
27 Nva Ile biphenyl-4-chloro 1.0
2 Ile Phe biphenyl-4-chloro 2.4
28 Ile Val biphenyl-4-chloro 2.9
20 Ile Phe 3,5-dichlorophenyl 0.15
29 Leu Ile 3,5-dichlorophenyl 0.15
30 Nva Ile 3,5-dichlorophenyl 0.089
31 Ile Val 3,5-dichlorophenyl 0.069
32 Nva Phe 3,5-dichlorophenyl 0.043
33 Val Phe 3,5-dichlorophenyl 0.021
a

Dipeptides were evaluated using 20 nM BoNT/A LC, 8 μM SNAPtide substrate, and a range of dipeptide concentrations to determine IC50 values.