Binding information for 4dhq_ligand_3_9.mol2(FDBF07650)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dhq_ligand_3_9.mol2 | 4dhq | 0.723077 | -5.75 | C(O)C(=O)Nc1cc(Cl)ccc1 | 12 |
Structure and binding mode of 4dhq_ligand_3_9.mol2(FDBF07650)
Important binding residues for 4dhq_ligand_3_9.mol2(FDBF07650)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4dhq | ARG56 | -2.45 | 1.04 | -1.41 | 0.16 | -1.24 |
| 4dhq | ALA57 | -0.67 | 0.24 | -0.43 | -0.25 | -0.68 |
