Binding information for 1i5r_ligand_3_156.mol2(FDBF00104)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1i5r_ligand_3_156.mol2 | 1i5r | 1 | -5.69 | C(C)CC(=O)OC | 7 |
Structure and binding mode of 1i5r_ligand_3_156.mol2(FDBF00104)
Important binding residues for 1i5r_ligand_3_156.mol2(FDBF00104)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1i5r | LEU93 | -1.16 | 0.62 | -0.54 | -0.06 | -0.60 |
| 1i5r | PHE192 | -1.57 | 0.02 | -1.55 | 0.45 | -1.10 |
| 1i5r | GLU194 | -0.49 | -0.52 | -1.01 | 0.60 | -0.42 |
