Binding information for 1elc_ligand_4_705.mol2(FDBF05633)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1elc_ligand_4_705.mol2 | 1elc | 0.634921 | -6.94 | CCC(=O)Nc1ccc(C(C)C)cc1 | 14 |
Structure and binding mode of 1elc_ligand_4_705.mol2(FDBF05633)
Important binding residues for 1elc_ligand_4_705.mol2(FDBF05633)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1elc | LEU227 | -0.89 | -0.32 | -1.21 | 0.75 | -0.47 |
| 1elc | CYS229 | -0.51 | -0.07 | -0.58 | -0.24 | -0.83 |
