Binding information for 4fsl_ligand_1_2.mol2(FDBF07650)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fsl_ligand_1_2.mol2 | 4fsl | 0.642857 | -7.47 | C(=O)(Nc1c(cccc1C)Cl)C | 12 |
Structure and binding mode of 4fsl_ligand_1_2.mol2(FDBF07650)
Important binding residues for 4fsl_ligand_1_2.mol2(FDBF07650)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fsl | TYR119 | -1.29 | -0.63 | -1.92 | 0.90 | -1.02 |
| 4fsl | GLN121 | -1.50 | -2.98 | -4.48 | 2.95 | -1.53 |
| 4fsl | GLY122 | -0.54 | 0.04 | -0.5 | 0.06 | -0.45 |
| 4fsl | PHE156 | -1.54 | -4.07 | -5.61 | 3.30 | -2.32 |
| 4fsl | ILE158 | -0.86 | -0.04 | -0.9 | -0.14 | -1.04 |
| 4fsl | ILE166 | -0.42 | 0.06 | -0.36 | -0.09 | -0.44 |
