Binding information for 3eid_ligand_3_28.mol2(FDBF02607)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3eid_ligand_3_28.mol2 | 3eid | 1 | -6.22 | O(C)c1ccc(N)cc1 | 9 |
Structure and binding mode of 3eid_ligand_3_28.mol2(FDBF02607)
Important binding residues for 3eid_ligand_3_28.mol2(FDBF02607)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3eid | ILE10 | -1.51 | 0.03 | -1.48 | 0.51 | -0.98 |
| 3eid | PHE82 | -0.74 | -0.03 | -0.77 | 0.26 | -0.50 |
| 3eid | LEU83 | -0.20 | -2.17 | -2.37 | 1.63 | -0.74 |
| 3eid | GLN85 | -0.74 | -0.71 | -1.45 | 0.50 | -0.95 |
| 3eid | LEU134 | -0.62 | -0.02 | -0.64 | -0.07 | -0.70 |
