Binding information for 4l70_ligand_3_4.mol2(FDBF00184)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4l70_ligand_3_4.mol2 | 4l70 | 1 | -6.55 | CC(=O)NCc1ccccc1 | 11 |
Structure and binding mode of 4l70_ligand_3_4.mol2(FDBF00184)
Important binding residues for 4l70_ligand_3_4.mol2(FDBF00184)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4l70 | LEU287 | -1.74 | -0.48 | -2.22 | 0.24 | -1.97 |
| 4l70 | VAL288 | -0.86 | 0.07 | -0.79 | 0.05 | -0.73 |
| 4l70 | THR386 | -0.81 | -1.91 | -2.72 | 1.12 | -1.60 |
| 4l70 | ARG400 | -0.53 | -0.42 | -0.95 | 0.17 | -0.78 |
| 4l70 | MET402 | -0.58 | -0.84 | -1.42 | 1.01 | -0.41 |
