Binding information for 1o6h_ligand_1_9.mol2(FDBF06668)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1o6h_ligand_1_9.mol2 | 1o6h | 0.852941 | -6.95 | c1cc2c(ccc(c2)O)cn1 | 11 |
Structure and binding mode of 1o6h_ligand_1_9.mol2(FDBF06668)
Important binding residues for 1o6h_ligand_1_9.mol2(FDBF06668)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1o6h | TRP169 | -0.99 | 0.17 | -0.82 | 0.03 | -0.78 |
| 1o6h | ILE261 | -1.30 | -0.21 | -1.51 | -0.06 | -1.58 |
| 1o6h | PRO263 | -0.94 | -0.34 | -1.28 | 0.21 | -1.07 |
| 1o6h | PHE437 | -0.48 | -0.31 | -0.79 | 0.28 | -0.51 |
| 1o6h | PHE601 | -1.03 | 0.43 | -0.6 | 0.10 | -0.50 |
| 1o6h | PHE605 | -1.18 | -0.14 | -1.32 | 0.23 | -1.09 |
