Binding information for 4g95_ligand_1_2.mol2(FDBF07567)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4g95_ligand_1_2.mol2 | 4g95 | 0.676471 | -6.47 | Nc1c(Cl)ccc(c1)Cl | 9 |
Structure and binding mode of 4g95_ligand_1_2.mol2(FDBF07567)
Important binding residues for 4g95_ligand_1_2.mol2(FDBF07567)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4g95 | ASP21 | -0.69 | -0.50 | -1.19 | 0.88 | -0.31 |
| 4g95 | LEU22 | -1.52 | 0.08 | -1.44 | -0.26 | -1.69 |
| 4g95 | PHE31 | -1.15 | 0.29 | -0.86 | 0.02 | -0.84 |
| 4g95 | ILE60 | -0.84 | -0.17 | -1.01 | 0.01 | -1.01 |
| 4g95 | PRO61 | -1.21 | 0.58 | -0.63 | -0.50 | -1.12 |
