Binding information for 2v13_ligand_3_316.mol2(FDBF00859)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v13_ligand_3_316.mol2 | 2v13 | 1 | -6.52 | COc1ccccc1C(=O)N | 11 |
Structure and binding mode of 2v13_ligand_3_316.mol2(FDBF00859)
Important binding residues for 2v13_ligand_3_316.mol2(FDBF00859)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2v13 | VAL36 | -0.40 | 0.26 | -0.14 | -0.26 | -0.40 |
| 2v13 | PRO118 | -0.63 | -0.90 | -1.53 | 1.00 | -0.53 |
| 2v13 | PHE119 | -0.88 | -0.28 | -1.16 | 0.29 | -0.87 |
| 2v13 | LEU121 | -0.60 | -0.19 | -0.79 | 0.31 | -0.48 |
| 2v13 | ALA122 | -0.50 | 0.07 | -0.43 | -0.19 | -0.62 |
| 2v13 | PHE124 | -1.47 | -1.37 | -2.84 | 1.64 | -1.20 |
