Binding information for 2v12_ligand_4_1695.mol2(FDBF07586)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v12_ligand_4_1695.mol2 | 2v12 | 0.924528 | -6.59 | COc1ccccc1C(=O)NC | 12 |
Structure and binding mode of 2v12_ligand_4_1695.mol2(FDBF07586)
Important binding residues for 2v12_ligand_4_1695.mol2(FDBF07586)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2v12 | GLN19 | -1.13 | 0.36 | -0.77 | 0.23 | -0.54 |
| 2v12 | VAL36 | -0.41 | 0.26 | -0.15 | -0.26 | -0.41 |
| 2v12 | PRO118 | -0.78 | -0.89 | -1.67 | 1.07 | -0.61 |
| 2v12 | PHE119 | -0.62 | -0.11 | -0.73 | 0.21 | -0.52 |
| 2v12 | LEU121 | -0.50 | -0.17 | -0.67 | 0.32 | -0.35 |
| 2v12 | ALA122 | -0.58 | 0.17 | -0.41 | -0.18 | -0.58 |
| 2v12 | PHE124 | -1.05 | -0.29 | -1.34 | 0.40 | -0.95 |
| 2v12 | ALA229 | -0.42 | -0.38 | -0.8 | 0.34 | -0.46 |
