Binding information for 4imq_ligand_1_0.mol2(FDBF00692)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4imq_ligand_1_0.mol2 | 4imq | 1 | -5.39 | COC(=O)N | 5 |
Structure and binding mode of 4imq_ligand_1_0.mol2(FDBF00692)
Important binding residues for 4imq_ligand_1_0.mol2(FDBF00692)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4imq | ILE109 | -0.48 | -1.08 | -1.56 | 0.75 | -0.81 |
| 4imq | GLN110 | -0.61 | -3.46 | -4.07 | 2.87 | -1.20 |
