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. 2024 Feb 13;39(1):2311157. doi: 10.1080/14756366.2024.2311157

Table 4.

Docking score of tested compounds representing series A, B, and C.

Compound Docking S score (kcal/mol)
EGFR tyrosine kinase (PDB ID: 1M17)
Docking S score (kcal/mol)
PI3Kβ kinase (PDB ID: 4JPS)
4a –7.2263 –7.5230
4b –8.14 –8.2550
4c –8.3325 –7.4893
4d –8.203 –8.1676
4e –8.0395 –8.1329
5 –8.5935 –8.5675
6a –7.1866 –7.5986
6b –7.4940 –7.8937
6c –8.0499 –7.2646
7 –7.1135 –6.8660
8 –7.0523 –7.4376
9a –5.9335 –6.2884
9b –6.5485 –6.5485
9c –6.3117 –6.2472
9d –6.1534 –6.6562
9e –6.5811 –7.2376
Erlotinib –8.44
LY294002 –6.175