Binding information for 4hj2_ligand_2_116.mol2(FDBF00049)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hj2_ligand_2_116.mol2 | 4hj2 | 1 | -6.37 | CNc1ccccc1 | 8 |
Structure and binding mode of 4hj2_ligand_2_116.mol2(FDBF00049)
Important binding residues for 4hj2_ligand_2_116.mol2(FDBF00049)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hj2 | PHE10 | -0.66 | -0.22 | -0.88 | 0.48 | -0.41 |
| 4hj2 | GLY14 | -0.54 | -0.41 | -0.95 | 0.18 | -0.78 |
| 4hj2 | ARG15 | -0.53 | -1.01 | -1.54 | 1.12 | -0.42 |
| 4hj2 | LEU107 | -1.13 | -0.37 | -1.5 | 0.57 | -0.93 |
| 4hj2 | LEU108 | -0.45 | 0.05 | -0.4 | 0.05 | -0.36 |
| 4hj2 | VAL111 | -0.62 | -0.00 | -0.62 | -0.05 | -0.67 |
| 4hj2 | PHE220 | -0.68 | -0.96 | -1.64 | 1.17 | -0.47 |
