Binding information for 2v13_ligand_5_3185.mol2(FDBF07586)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v13_ligand_5_3185.mol2 | 2v13 | 0.830508 | -6.96 | CCOc1ccccc1C(=O)NC | 13 |
Structure and binding mode of 2v13_ligand_5_3185.mol2(FDBF07586)
Important binding residues for 2v13_ligand_5_3185.mol2(FDBF07586)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2v13 | GLN19 | -1.19 | 0.75 | -0.44 | 0.10 | -0.34 |
| 2v13 | VAL36 | -0.58 | 0.27 | -0.31 | -0.28 | -0.59 |
| 2v13 | PRO118 | -0.65 | -0.93 | -1.58 | 1.01 | -0.57 |
| 2v13 | PHE119 | -0.92 | -0.29 | -1.21 | 0.34 | -0.87 |
| 2v13 | LEU121 | -0.61 | -0.20 | -0.81 | 0.32 | -0.49 |
| 2v13 | ALA122 | -0.51 | 0.07 | -0.44 | -0.17 | -0.62 |
| 2v13 | PHE124 | -1.45 | -1.26 | -2.71 | 1.58 | -1.12 |
| 2v13 | ALA229 | -0.62 | -0.36 | -0.98 | 0.49 | -0.49 |
