Binding information for 4hlw_ligand_2_9.mol2(FDBF00362)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4hlw_ligand_2_9.mol2 | 4hlw | 0.844444 | -5.98 | CSc1[nH+]c2c([nH]1)cccc2 | 11 |
Structure and binding mode of 4hlw_ligand_2_9.mol2(FDBF00362)
Important binding residues for 4hlw_ligand_2_9.mol2(FDBF00362)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4hlw | ILE672 | -0.61 | -0.14 | -0.75 | 0.10 | -0.65 |
| 4hlw | PHE673 | -1.52 | -0.12 | -1.64 | 0.55 | -1.09 |
| 4hlw | PRO723 | -0.67 | -0.22 | -0.89 | 0.49 | -0.40 |
| 4hlw | TYR834 | -0.52 | 0.68 | 0.16 | -0.47 | -0.32 |
