Binding information for 1qiw_ligand_5_6062.mol2(FDBF04002)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1qiw_ligand_5_6062.mol2 | 1qiw | 0.606061 | -6.35 | CCOc1ccc(CC)cc1O | 12 |
Structure and binding mode of 1qiw_ligand_5_6062.mol2(FDBF04002)
Important binding residues for 1qiw_ligand_5_6062.mol2(FDBF04002)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1qiw | PHE12 | -1.52 | -0.19 | -1.71 | 0.64 | -1.07 |
| 1qiw | ALA15 | -0.31 | -0.09 | -0.4 | -0.03 | -0.43 |
| 1qiw | MET72 | -0.43 | -0.05 | -0.48 | 0.08 | -0.40 |
| 1qiw | MET76 | -0.99 | -0.34 | -1.33 | 0.30 | -1.03 |
| 1qiw | MET145 | -1.35 | 0.08 | -1.27 | 0.25 | -1.03 |
