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. 2022 Jan 11;27(2):453. doi: 10.3390/molecules27020453

Table 1.

The comparisons of docking scores of AMs in various allosteric binding sites (kcal/mol).

Site B Site C Site G Site H Site I Site J Site K
C−2 −7.26 N/A * −6.68 −7.20 −7.31 −5.64 −6.95
TBC −6.04 −4.44 −5.42 −2.79 −6.39 −4.35 −5.75
CBD −6.28 −4.74 −5.89 −4.21 −5.92 −4.13 −5.78

* N/A: based on the reported crystal structures, we suggested that C-2 (PAM) did not bind to site C.