Binding information for 1elc_ligand_3_281.mol2(FDBF05633)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1elc_ligand_3_281.mol2 | 1elc | 0.661017 | -6.75 | C(=O)(Nc1ccc(C(C)C)cc1)C | 13 |
Structure and binding mode of 1elc_ligand_3_281.mol2(FDBF05633)
Important binding residues for 1elc_ligand_3_281.mol2(FDBF05633)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1elc | LEU227 | -0.89 | -0.32 | -1.21 | 0.73 | -0.48 |
| 1elc | CYS229 | -0.47 | -0.08 | -0.55 | -0.20 | -0.75 |
