Binding information for 2v13_ligand_4_1665.mol2(FDBF07614)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v13_ligand_4_1665.mol2 | 2v13 | 0.762712 | -7.08 | Oc1ccccc1C(=O)NCCC | 13 |
Structure and binding mode of 2v13_ligand_4_1665.mol2(FDBF07614)
Important binding residues for 2v13_ligand_4_1665.mol2(FDBF07614)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2v13 | VAL36 | -0.41 | 0.06 | -0.35 | -0.17 | -0.51 |
| 2v13 | TYR83 | -0.76 | 0.05 | -0.71 | 0.13 | -0.57 |
| 2v13 | PRO118 | -0.66 | -0.85 | -1.51 | 0.87 | -0.64 |
| 2v13 | PHE119 | -1.02 | -0.22 | -1.24 | 0.37 | -0.87 |
| 2v13 | LEU121 | -0.60 | -0.15 | -0.75 | 0.25 | -0.50 |
| 2v13 | ALA122 | -0.50 | -0.04 | -0.54 | -0.09 | -0.63 |
| 2v13 | PHE124 | -1.40 | -0.58 | -1.98 | 1.01 | -0.97 |
| 2v13 | VAL127 | -0.54 | 0.08 | -0.46 | -0.20 | -0.66 |
