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. 2023 Oct 12;8(42):39490–39510. doi: 10.1021/acsomega.3c05247

Table 3. Blind Docking Results of the AKBA Hybrid in Different Binding Sites in the PI3K Complex.

binding site cavity volume (Å3) docking size (X,Y,Z) center box (X,Y,Z) Vina score of 18 Vina score of 5b
1 32,498 75,51,81 35,35,35 –11.4 –10.6
2 7532 66,79,91 35,27,35 –9.0 –10.1
3 3805 90,79,92 27,27,27 –7.8 –8.4