Binding information for 3ipb_ligand_1_14.mol2(FDBF07567)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3ipb_ligand_1_14.mol2 | 3ipb | 0.676471 | -6.97 | Nc1cc(Cl)cc(c1)Cl | 9 |
Structure and binding mode of 3ipb_ligand_1_14.mol2(FDBF07567)
Important binding residues for 3ipb_ligand_1_14.mol2(FDBF07567)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3ipb | LEU17 | -0.64 | -0.33 | -0.97 | 0.41 | -0.56 |
| 3ipb | ALA108 | -0.50 | 0.56 | 0.06 | -0.36 | -0.31 |
| 3ipb | ALA109 | -0.53 | -0.42 | -0.95 | 0.33 | -0.62 |
| 3ipb | LEU110 | -1.55 | -0.06 | -1.61 | -0.10 | -1.71 |
| 3ipb | THR118 | -0.50 | -0.08 | -0.58 | -0.09 | -0.67 |
