Binding information for 2wf0_ligand_1_0.mol2(FDBF01186)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wf0_ligand_1_0.mol2 | 2wf0 | 0.795918 | -6.69 | C(=O)(N)c1cc2c(cc1)nccc2 | 13 |
Structure and binding mode of 2wf0_ligand_1_0.mol2(FDBF01186)
Important binding residues for 2wf0_ligand_1_0.mol2(FDBF01186)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wf0 | TYR132 | -0.60 | -1.35 | -1.95 | 0.86 | -1.09 |
| 2wf0 | THR133 | -0.92 | -1.83 | -2.75 | 1.42 | -1.33 |
| 2wf0 | GLN134 | -3.18 | -1.99 | -5.17 | 2.73 | -2.44 |
| 2wf0 | GLY291 | -0.41 | -2.45 | -2.86 | 2.15 | -0.71 |
| 2wf0 | THR292 | -1.90 | -0.64 | -2.54 | 0.92 | -1.61 |
