Binding information for 1oq5_ligand.mol2(FDBF01055)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1oq5_ligand.mol2 | 1oq5 | 0.653846 | -8.40 | S(=O)(=O)(c1ccc(cc1)n1c(c2ccc(C)cc2)cc(C(F)(F)F)n1)N | 27 |
Structure and binding mode of 1oq5_ligand.mol2(FDBF01055)
Important binding residues for 1oq5_ligand.mol2(FDBF01055)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1oq5 | GLN92 | -1.86 | -0.28 | -2.14 | 0.85 | -1.30 |
| 1oq5 | GLU106 | -0.19 | -0.85 | -1.04 | -0.48 | -1.51 |
| 1oq5 | HIS119 | -1.13 | 2.02 | 0.89 | -5.25 | -4.37 |
| 1oq5 | VAL121 | -0.91 | 0.02 | -0.89 | -0.00 | -0.90 |
| 1oq5 | PHE131 | -1.74 | 0.36 | -1.38 | 0.21 | -1.17 |
| 1oq5 | VAL135 | -0.76 | -0.07 | -0.83 | -0.07 | -0.90 |
| 1oq5 | VAL143 | -0.62 | -0.25 | -0.87 | 0.22 | -0.64 |
| 1oq5 | LEU198 | -2.55 | -0.39 | -2.94 | 0.69 | -2.26 |
| 1oq5 | THR199 | -0.15 | -4.10 | -4.25 | 0.32 | -3.93 |
| 1oq5 | THR200 | -1.06 | -1.89 | -2.95 | 1.39 | -1.56 |
| 1oq5 | PRO202 | -1.02 | -0.42 | -1.44 | 0.30 | -1.13 |
| 1oq5 | TRP209 | -0.68 | 0.82 | 0.14 | -0.85 | -0.70 |
