Binding information for 830c_ligand_1_4.mol2(FDBF00255)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 830c_ligand_1_4.mol2 | 830c | 0.777778 | -5.61 | CC1CCOCC1 | 7 |
Structure and binding mode of 830c_ligand_1_4.mol2(FDBF00255)
Important binding residues for 830c_ligand_1_4.mol2(FDBF00255)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 830c | LEU184 | -0.34 | 0.06 | -0.28 | -0.04 | -0.31 |
| 830c | HIS187 | -0.54 | 0.02 | -0.52 | 0.20 | -0.32 |
