Binding information for 2iw6_ligand_3_100.mol2(FDBF02607)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2iw6_ligand_3_100.mol2 | 2iw6 | 1 | -6.20 | c1cc(ccc1OC)N | 9 |
Structure and binding mode of 2iw6_ligand_3_100.mol2(FDBF02607)
Important binding residues for 2iw6_ligand_3_100.mol2(FDBF02607)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2iw6 | ILE10 | -1.60 | -0.17 | -1.77 | 0.06 | -1.71 |
| 2iw6 | PHE82 | -0.78 | -0.15 | -0.93 | 0.28 | -0.64 |
| 2iw6 | LEU83 | -0.03 | -2.61 | -2.64 | 1.73 | -0.91 |
| 2iw6 | HIS84 | -0.68 | -0.27 | -0.95 | 0.53 | -0.42 |
| 2iw6 | GLN85 | -1.30 | -1.20 | -2.5 | 0.62 | -1.88 |
| 2iw6 | THR89 | -0.47 | -0.61 | -1.08 | 0.73 | -0.35 |
| 2iw6 | LEU134 | -0.61 | 0.04 | -0.57 | -0.15 | -0.71 |
