Table 2 The binding energy of compound and hub targets (kcal/mol)
Receptors | PDB | Vina | Cavity | Center | Size | ||||
|---|---|---|---|---|---|---|---|---|---|
ID | score | size | X | Y | Z | X | Y | Z | |
IGF1 | 1B9G | -16.4 | 67 | 19 | 2 | -19 | 24 | 24 | 24 |
KDR | 1VR2 | -10.3 | 634 | 19 | 12 | 10 | 24 | 24 | 24 |
MAPK1 | 1GOL | -10.1 | 596 | 67 | 12 | 6 | 24 | 24 | 24 |
IGF1R | 1IGR | -9.6 | 891 | 21 | 1 | 62 | 24 | 24 | 24 |
JAK2 | 2B7A | -9.4 | 2168 | 248 | -57 | 37 | 30 | 24 | 24 |
HRAS | 121P | -9.3 | 1215 | -5 | -9 | -7 | 24 | 24 | 24 |
MAPK14 | 1A9U | -8.9 | 260 | -9 | 28 | 60 | 24 | 24 | 24 |
SRC | 1A07 | -8.6 | 1209 | 42 | 12 | 28 | 24 | 24 | 24 |
HSP90AA1 | 1BYQ | -8.5 | 705 | 40 | -48 | 65 | 24 | 24 | 24 |
STAT1 | 1BF5 | -8.3 | 313 | 4 | 13 | 31 | 24 | 24 | 24 |
MAP2K1 | 1S9J | -8 | 2981 | 35 | 32 | 40 | 32 | 24 | 24 |