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. 2022 Jan 5;5(1):20–40. doi: 10.1021/acsptsci.1c00251

Table 3. Binding Data (pKi Values) of Selected Pentapeptides (1, 2, 46, 16, 19, 2325, and 35) at Casp1, Casp2, Casp3, Casp6, Casp7, and Casp9a.

    pKi ± SD
sequence Comp. Casp1 N Casp2b N Casp3b N Casp6 N Casp7 N Casp9 N
AcYKPVD-CHO 1 <4 2 4.56 ± 0.43 3 4.73 ± 0.10 4 <4 2 4.53 ± 0.19 2 <4.5 2
AcVDVAD-CHO 2 7.06 ± 0.06 2 7.85 ± 0.08 5 7.73 ± 0.09 5 <4 2 7.08 ± 0.06 2 5.57 ± 0.31 2
AcVDKVD-CHO 4 5.97 ± 0.12 2 7.40 ± 0.02 5 7.28 ± 0.09 4 <4 2 7.28 ± 0.10 2 4.77 ± 0.50 2
AcVDVKD-CHO 5 6.18 ± 0.20 2 7.63 ± 0.05 4 6.91 ± 0.07 4 <4 2 6.25 ± 0.07 2 <4.5 2
AcVDVVD-CHO 6 6.61 ± 0.13 2 7.77 ± 0.12 4 7.81 ± 0.13 4 4.93 ± 0.01 2 7.63 ± 0.07 2 5.52 ± 0.72 2
AcYDVKD-CHO 16 6.34 ± 0.01 2 7.83 ± 0.04 4 7.13 ± 0.02 4 <4 2 7.04 ± 0.01 2 4.72 ± 0.03 2
AcVD(Dab)VD-CHO 19 6.04 ± 0.02 2 7.44 ± 0.08 4 7.54 ± 0.02 4 <4 2 7.34 ± 0.11 2 5.17 ± 0.19 2
AcVDV(Orn)D-CHO 23 5.82 ± 0.04 2 7.45 ± 0.07 4 6.60 ± 0.08 4 <4 2 5.92 ± 0.01 2 <4.5 2
AcVDV(Dab)D-CHO 24 5.43 ± 0.16 2 7.26 ± 0.07 4 5.82 ± 0.18 4 <4 2 4.61 ± 0.36 2 <4 2
AcVDV(Dap)D-CHO 25 5.48 ± 0.08 2 6.77 ± 0.17 4 6.14 ± 0.09 4 <4 2 5.12 ± 0.09 2 <4 2
AcIDVKD-CHO 35 6.05 ± 0.03 2 7.68 ± 0.04 4 6.80 ± 0.10 4 <4 2 6.25 ± 0.11 2 <4.5 2
a

Data shown are mean values ± SD of N independent experiments, each performed in duplicate or triplicate. Data were analyzed by nonlinear regression and were best fitted to sigmoidal concentration–response curves.

b

Data at Casp2 and Casp3 are also shown in Table 2.