Binding information for 1w0y_ligand_2_15.mol2(FDBF07600)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w0y_ligand_2_15.mol2 | 1w0y | 0.583333 | -5.90 | c1(c(cccc1)NS(=O)(=O)C)C | 12 |
Structure and binding mode of 1w0y_ligand_2_15.mol2(FDBF07600)
Important binding residues for 1w0y_ligand_2_15.mol2(FDBF07600)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1w0y | HIS57 | -0.97 | -0.34 | -1.31 | 0.93 | -0.38 |
| 1w0y | THR99 | -0.38 | 0.10 | -0.28 | -0.10 | -0.38 |
| 1w0y | LYS192 | -2.01 | -7.91 | -9.92 | 8.04 | -1.88 |
| 1w0y | TRP215 | -1.06 | -0.37 | -1.43 | 0.31 | -1.12 |
