Binding information for 4yv0_ligand_1_0.mol2(FDBF04096)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4yv0_ligand_1_0.mol2 | 4yv0 | 1 | -7.00 | C(=O)N(C)c1ccccc1 | 10 |
Structure and binding mode of 4yv0_ligand_1_0.mol2(FDBF04096)
Important binding residues for 4yv0_ligand_1_0.mol2(FDBF04096)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4yv0 | MET24 | -1.71 | -0.37 | -2.08 | 0.11 | -1.97 |
| 4yv0 | SER25 | -0.67 | 0.08 | -0.59 | 0.19 | -0.41 |
| 4yv0 | LEU26 | -0.67 | -0.12 | -0.79 | 0.01 | -0.77 |
| 4yv0 | TRP53 | -0.86 | -0.53 | -1.39 | 0.84 | -0.55 |
| 4yv0 | ILE63 | -0.47 | -0.62 | -1.09 | 0.78 | -0.31 |
| 4yv0 | THR236 | -1.59 | -0.36 | -1.95 | 0.28 | -1.67 |
| 4yv0 | PRO238 | -0.35 | -1.37 | -1.72 | 0.48 | -1.24 |
| 4yv0 | CYS239 | -0.22 | -3.26 | -3.48 | 1.81 | -1.67 |
