Binding information for 4lke_ligand_4_48.mol2(FDBF03583)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lke_ligand_4_48.mol2 | 4lke | 0.844444 | -5.56 | c1(ccc(cc1)O)C(=O)NCC | 12 |
Structure and binding mode of 4lke_ligand_4_48.mol2(FDBF03583)
Important binding residues for 4lke_ligand_4_48.mol2(FDBF03583)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4lke | TYR36 | -0.84 | -0.26 | -1.1 | 0.40 | -0.70 |
