Binding information for 3f7h_ligand_3_55.mol2(FDBF00242)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3f7h_ligand_3_55.mol2 | 3f7h | 0.576271 | -6.20 | c1(ccccc1)C(c1ccccc1)C(=O)N | 16 |
Structure and binding mode of 3f7h_ligand_3_55.mol2(FDBF00242)
Important binding residues for 3f7h_ligand_3_55.mol2(FDBF00242)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3f7h | LYS121 | -1.50 | -1.81 | -3.31 | 2.51 | -0.80 |
| 3f7h | VAL122 | -0.75 | 0.20 | -0.55 | 0.15 | -0.39 |
| 3f7h | GLY130 | -1.39 | -1.09 | -2.48 | 0.76 | -1.73 |
| 3f7h | LEU131 | -0.99 | -0.39 | -1.38 | 0.56 | -0.82 |
