Binding information for 2v13_ligand_3_394.mol2(FDBF07618)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v13_ligand_3_394.mol2 | 2v13 | 0.803922 | -6.63 | Oc1ccccc1C(=O)NC | 11 |
Structure and binding mode of 2v13_ligand_3_394.mol2(FDBF07618)
Important binding residues for 2v13_ligand_3_394.mol2(FDBF07618)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2v13 | PRO118 | -0.64 | -0.85 | -1.49 | 0.89 | -0.60 |
| 2v13 | PHE119 | -0.90 | -0.24 | -1.14 | 0.32 | -0.82 |
| 2v13 | LEU121 | -0.60 | -0.14 | -0.74 | 0.25 | -0.49 |
| 2v13 | ALA122 | -0.49 | -0.04 | -0.53 | -0.09 | -0.61 |
| 2v13 | PHE124 | -1.24 | -0.56 | -1.8 | 0.90 | -0.91 |
