Binding information for 1ikt_ligand_4_710.mol2(FDBF07655)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ikt_ligand_4_710.mol2 | 1ikt | 0.545455 | -5.84 | CCOCC | 5 |
Structure and binding mode of 1ikt_ligand_4_710.mol2(FDBF07655)
Important binding residues for 1ikt_ligand_4_710.mol2(FDBF07655)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ikt | GLN90 | -1.49 | -1.73 | -3.22 | 1.30 | -1.92 |
| 1ikt | PHE93 | -1.40 | -0.03 | -1.43 | 0.24 | -1.20 |
| 1ikt | PHE94 | -0.67 | -0.40 | -1.07 | 0.64 | -0.44 |
| 1ikt | ILE104 | -0.87 | 0.19 | -0.68 | 0.08 | -0.60 |
