Binding information for 4gmc_ligand_1_3.mol2(FDBF01215)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4gmc_ligand_1_3.mol2 | 4gmc | 0.851852 | -5.06 | CC(=O)N1CCOCC1 | 9 |
Structure and binding mode of 4gmc_ligand_1_3.mol2(FDBF01215)
Important binding residues for 4gmc_ligand_1_3.mol2(FDBF01215)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4gmc | VAL494 | -0.48 | -0.23 | -0.71 | 0.23 | -0.48 |
