Binding information for 1bim_ligand_5_673.mol2(FDBF00336)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1bim_ligand_5_673.mol2 | 1bim | 1 | -5.89 | CC(C)C(=O)NCCO | 9 |
Structure and binding mode of 1bim_ligand_5_673.mol2(FDBF00336)
Important binding residues for 1bim_ligand_5_673.mol2(FDBF00336)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1bim | GLY34 | -0.49 | 0.46 | -0.03 | -0.68 | -0.72 |
| 1bim | TYR75 | -0.95 | -0.31 | -1.26 | 0.30 | -0.97 |
| 1bim | GLY217 | -1.06 | -0.62 | -1.68 | 1.06 | -0.62 |
