Binding information for 1o6h_ligand_3_161.mol2(FDBF01190)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1o6h_ligand_3_161.mol2 | 1o6h | 0.764706 | -7.23 | c1cc2c(ccc(c2)OCC)cn1 | 13 |
Structure and binding mode of 1o6h_ligand_3_161.mol2(FDBF01190)
Important binding residues for 1o6h_ligand_3_161.mol2(FDBF01190)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1o6h | TRP169 | -1.02 | 0.15 | -0.87 | 0.07 | -0.80 |
| 1o6h | ILE261 | -1.52 | -0.30 | -1.82 | 0.02 | -1.80 |
| 1o6h | PRO263 | -0.96 | -0.43 | -1.39 | 0.29 | -1.10 |
| 1o6h | PHE437 | -0.49 | -0.29 | -0.78 | 0.27 | -0.51 |
| 1o6h | PHE601 | -1.08 | 0.12 | -0.96 | 0.39 | -0.57 |
| 1o6h | PHE605 | -1.32 | -0.00 | -1.32 | 0.18 | -1.14 |
| 1o6h | LEU607 | -0.54 | -0.66 | -1.2 | 0.75 | -0.45 |
