Binding information for 1dis_ligand_1_4.mol2(FDBF00880)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1dis_ligand_1_4.mol2 | 1dis | 1 | -6.50 | c1ccc(Br)c(c1)OC | 9 |
Structure and binding mode of 1dis_ligand_1_4.mol2(FDBF00880)
Important binding residues for 1dis_ligand_1_4.mol2(FDBF00880)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1dis | LEU19 | -1.45 | -0.22 | -1.67 | -0.01 | -1.69 |
| 1dis | LEU27 | -1.41 | -0.24 | -1.65 | 0.12 | -1.53 |
| 1dis | PHE49 | -1.98 | -0.93 | -2.91 | 0.97 | -1.95 |
