Binding information for 2f70_ligand_4_20.mol2(FDBF00186)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2f70_ligand_4_20.mol2 | 2f70 | 1 | -6.29 | CCC(=O)NCc1ccccc1 | 12 |
Structure and binding mode of 2f70_ligand_4_20.mol2(FDBF00186)
Important binding residues for 2f70_ligand_4_20.mol2(FDBF00186)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2f70 | VAL49 | -1.05 | 0.20 | -0.85 | -0.14 | -0.99 |
| 2f70 | PHE182 | -0.49 | 0.26 | -0.23 | -0.16 | -0.39 |
| 2f70 | ILE219 | -0.63 | 0.07 | -0.56 | -0.07 | -0.62 |
| 2f70 | MET258 | -0.83 | 0.10 | -0.73 | 0.28 | -0.45 |
| 2f70 | GLY259 | -0.71 | -0.17 | -0.88 | 0.08 | -0.80 |
| 2f70 | GLN262 | -1.18 | -4.52 | -5.7 | 4.49 | -1.22 |
