Binding information for 1i7i_ligand_3_110.mol2(FDBF04961)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1i7i_ligand_3_110.mol2 | 1i7i | 0.884615 | -6.54 | C(Cc1ccccc1)O | 9 |
Structure and binding mode of 1i7i_ligand_3_110.mol2(FDBF04961)
Important binding residues for 1i7i_ligand_3_110.mol2(FDBF04961)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1i7i | ILE281 | -0.78 | 0.22 | -0.56 | -0.02 | -0.58 |
| 1i7i | GLY284 | -0.65 | -0.16 | -0.81 | -0.04 | -0.85 |
| 1i7i | CYS285 | -1.75 | 0.32 | -1.43 | 0.43 | -1.00 |
| 1i7i | ARG288 | -0.64 | 0.23 | -0.41 | -0.32 | -0.73 |
| 1i7i | LEU330 | -0.76 | 0.53 | -0.23 | -0.45 | -0.68 |
| 1i7i | VAL339 | -0.75 | 0.04 | -0.71 | -0.06 | -0.77 |
| 1i7i | ILE341 | -1.16 | -0.11 | -1.27 | -0.06 | -1.33 |
| 1i7i | MET364 | -0.69 | 0.12 | -0.57 | 0.13 | -0.43 |
