Binding information for 2v12_ligand_5_5565.mol2(FDBF07586)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v12_ligand_5_5565.mol2 | 2v12 | 0.859649 | -6.87 | CCNC(=O)c1c(cccc1)OC | 13 |
Structure and binding mode of 2v12_ligand_5_5565.mol2(FDBF07586)
Important binding residues for 2v12_ligand_5_5565.mol2(FDBF07586)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2v12 | GLN19 | -1.13 | 0.36 | -0.77 | 0.24 | -0.54 |
| 2v12 | VAL36 | -0.49 | 0.25 | -0.24 | -0.27 | -0.51 |
| 2v12 | TYR83 | -0.41 | -0.06 | -0.47 | 0.13 | -0.35 |
| 2v12 | PRO118 | -0.79 | -0.89 | -1.68 | 1.06 | -0.62 |
| 2v12 | PHE119 | -0.64 | -0.11 | -0.75 | 0.21 | -0.53 |
| 2v12 | LEU121 | -0.50 | -0.17 | -0.67 | 0.32 | -0.35 |
| 2v12 | ALA122 | -0.58 | 0.16 | -0.42 | -0.17 | -0.59 |
| 2v12 | PHE124 | -1.11 | -0.29 | -1.4 | 0.42 | -0.98 |
| 2v12 | ALA229 | -0.48 | -0.38 | -0.86 | 0.39 | -0.46 |
