Binding information for 2v13_ligand_4_1379.mol2(FDBF07586)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v13_ligand_4_1379.mol2 | 2v13 | 0.924528 | -6.64 | COc1ccccc1C(=O)NC | 12 |
Structure and binding mode of 2v13_ligand_4_1379.mol2(FDBF07586)
Important binding residues for 2v13_ligand_4_1379.mol2(FDBF07586)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2v13 | VAL36 | -0.43 | 0.27 | -0.16 | -0.28 | -0.45 |
| 2v13 | PRO118 | -0.64 | -0.92 | -1.56 | 1.01 | -0.56 |
| 2v13 | PHE119 | -0.91 | -0.29 | -1.2 | 0.34 | -0.87 |
| 2v13 | LEU121 | -0.61 | -0.20 | -0.81 | 0.32 | -0.49 |
| 2v13 | ALA122 | -0.51 | 0.08 | -0.43 | -0.20 | -0.63 |
| 2v13 | PHE124 | -1.51 | -1.34 | -2.85 | 1.64 | -1.20 |
| 2v13 | ALA229 | -0.33 | -0.38 | -0.71 | 0.39 | -0.32 |
