Binding information for 1dis_ligand_2_17.mol2(FDBF00880)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1dis_ligand_2_17.mol2 | 1dis | 1 | -6.46 | O(c1ccccc1Br)C | 9 |
Structure and binding mode of 1dis_ligand_2_17.mol2(FDBF00880)
Important binding residues for 1dis_ligand_2_17.mol2(FDBF00880)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1dis | LEU19 | -1.05 | 0.04 | -1.01 | -0.18 | -1.18 |
| 1dis | LEU27 | -2.06 | -0.52 | -2.58 | 0.38 | -2.19 |
| 1dis | PHE49 | -1.69 | -0.86 | -2.55 | 0.86 | -1.69 |
| 1dis | LEU54 | -0.42 | -0.07 | -0.49 | 0.03 | -0.46 |
