Binding information for 4hj2_ligand_5_6167.mol2(FDBF00643)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hj2_ligand_5_6167.mol2 | 4hj2 | 0.805556 | -6.73 | C(CCl)N(C)c1ccc(cc1)C | 12 |
Structure and binding mode of 4hj2_ligand_5_6167.mol2(FDBF00643)
Important binding residues for 4hj2_ligand_5_6167.mol2(FDBF00643)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hj2 | PHE10 | -0.73 | -0.05 | -0.78 | 0.44 | -0.34 |
| 4hj2 | GLY14 | -0.70 | -0.34 | -1.04 | 0.02 | -1.02 |
| 4hj2 | ARG15 | -0.78 | 0.52 | -0.26 | -0.31 | -0.57 |
| 4hj2 | LEU108 | -0.66 | 0.06 | -0.6 | 0.05 | -0.55 |
| 4hj2 | VAL111 | -0.85 | 0.08 | -0.77 | -0.18 | -0.95 |
| 4hj2 | ALA216 | -0.49 | -0.97 | -1.46 | 1.16 | -0.31 |
| 4hj2 | PHE220 | -1.27 | 1.13 | -0.14 | -0.32 | -0.46 |
