Binding information for 4fsl_ligand_2_4.mol2(FDBF07650)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fsl_ligand_2_4.mol2 | 4fsl | 0.652778 | -7.75 | Cc1cc(c(NC(=O)C)c(c1)Cl)C | 13 |
Structure and binding mode of 4fsl_ligand_2_4.mol2(FDBF07650)
Important binding residues for 4fsl_ligand_2_4.mol2(FDBF07650)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fsl | TYR119 | -1.79 | -0.66 | -2.45 | 1.11 | -1.34 |
| 4fsl | GLN121 | -1.57 | -3.00 | -4.57 | 3.03 | -1.55 |
| 4fsl | GLY122 | -0.55 | 0.03 | -0.52 | 0.07 | -0.45 |
| 4fsl | PHE156 | -1.64 | -4.07 | -5.71 | 3.34 | -2.37 |
| 4fsl | ILE158 | -0.87 | -0.04 | -0.91 | -0.13 | -1.04 |
| 4fsl | ILE166 | -0.59 | 0.06 | -0.53 | -0.10 | -0.63 |
