Binding information for 4hj2_ligand_4_2310.mol2(FDBF00643)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hj2_ligand_4_2310.mol2 | 4hj2 | 0.758621 | -6.68 | CN(CC)c1ccccc1 | 10 |
Structure and binding mode of 4hj2_ligand_4_2310.mol2(FDBF00643)
Important binding residues for 4hj2_ligand_4_2310.mol2(FDBF00643)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hj2 | PHE10 | -0.87 | -0.16 | -1.03 | 0.59 | -0.43 |
| 4hj2 | GLY14 | -0.60 | -0.42 | -1.02 | 0.19 | -0.84 |
| 4hj2 | ARG15 | -0.96 | -0.44 | -1.4 | 0.81 | -0.59 |
| 4hj2 | LEU107 | -1.18 | -0.32 | -1.5 | 0.51 | -0.98 |
| 4hj2 | LEU108 | -0.52 | 0.06 | -0.46 | 0.05 | -0.41 |
| 4hj2 | VAL111 | -0.69 | -0.01 | -0.7 | -0.07 | -0.77 |
| 4hj2 | PHE220 | -1.17 | -0.80 | -1.97 | 1.28 | -0.69 |
