Binding information for 4dhp_ligand_3_16.mol2(FDBF07650)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4dhp_ligand_3_16.mol2 | 4dhp | 0.623188 | -5.62 | OCC(=O)Nc1ccccc1Cl | 12 |
Structure and binding mode of 4dhp_ligand_3_16.mol2(FDBF07650)
Important binding residues for 4dhp_ligand_3_16.mol2(FDBF07650)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4dhp | ARG56 | -1.95 | -0.46 | -2.41 | 1.91 | -0.49 |
| 4dhp | ALA57 | -0.42 | 0.15 | -0.27 | -0.20 | -0.47 |
