Binding information for 1dis_ligand_2_18.mol2(FDBF00880)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1dis_ligand_2_18.mol2 | 1dis | 0.896552 | -6.43 | Oc1cccc(c1Br)OC | 10 |
Structure and binding mode of 1dis_ligand_2_18.mol2(FDBF00880)
Important binding residues for 1dis_ligand_2_18.mol2(FDBF00880)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1dis | LEU19 | -1.46 | -0.21 | -1.67 | -0.02 | -1.70 |
| 1dis | LEU27 | -1.63 | -0.06 | -1.69 | -0.16 | -1.85 |
| 1dis | PHE49 | -2.18 | -0.49 | -2.67 | 0.63 | -2.04 |
