Binding information for 1xdg_ligand_2_0.mol2(FDBF03582)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xdg_ligand_2_0.mol2 | 1xdg | 1 | -5.40 | COc1c(ccc(c1)C)O | 10 |
Structure and binding mode of 1xdg_ligand_2_0.mol2(FDBF03582)
Important binding residues for 1xdg_ligand_2_0.mol2(FDBF03582)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1xdg | PHE285 | -0.70 | 0.19 | -0.51 | 0.01 | -0.49 |
