Binding information for 4hj2_ligand_5_6133.mol2(FDBF00649)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hj2_ligand_5_6133.mol2 | 4hj2 | 0.805556 | -6.93 | CN(CC)c1ccc(cc1)C | 11 |
Structure and binding mode of 4hj2_ligand_5_6133.mol2(FDBF00649)
Important binding residues for 4hj2_ligand_5_6133.mol2(FDBF00649)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hj2 | PHE10 | -0.89 | -0.19 | -1.08 | 0.64 | -0.44 |
| 4hj2 | GLY14 | -0.74 | -0.42 | -1.16 | 0.24 | -0.92 |
| 4hj2 | ARG15 | -0.99 | -0.43 | -1.42 | 0.80 | -0.61 |
| 4hj2 | LEU108 | -0.63 | 0.05 | -0.58 | 0.06 | -0.52 |
| 4hj2 | VAL111 | -0.77 | -0.02 | -0.79 | -0.08 | -0.87 |
| 4hj2 | PHE220 | -1.18 | -0.82 | -2 | 1.32 | -0.68 |
