Binding information for 3fh8_ligand_3_10.mol2(FDBF01159)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3fh8_ligand_3_10.mol2 | 3fh8 | 0.75 | -7.16 | O(CC)c1ccccc1 | 9 |
Structure and binding mode of 3fh8_ligand_3_10.mol2(FDBF01159)
Important binding residues for 3fh8_ligand_3_10.mol2(FDBF01159)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3fh8 | GLN136 | -1.87 | -0.65 | -2.52 | 1.13 | -1.39 |
| 3fh8 | ALA137 | -1.07 | -0.10 | -1.17 | 0.19 | -0.98 |
| 3fh8 | TRP311 | -1.04 | 0.15 | -0.89 | 0.37 | -0.51 |
| 3fh8 | PHE314 | -1.50 | 0.25 | -1.25 | 0.50 | -0.76 |
| 3fh8 | TYR378 | -1.77 | -0.62 | -2.39 | 0.70 | -1.69 |
