Binding information for 3eoc_ligand_3_14.mol2(FDBF02612)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3eoc_ligand_3_14.mol2 | 3eoc | 1 | -6.23 | O(C)c1cc(OC)cc(c1)N | 11 |
Structure and binding mode of 3eoc_ligand_3_14.mol2(FDBF02612)
Important binding residues for 3eoc_ligand_3_14.mol2(FDBF02612)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3eoc | ILE10 | -2.26 | 0.10 | -2.16 | 0.17 | -1.98 |
| 3eoc | PHE82 | -0.80 | -0.07 | -0.87 | 0.39 | -0.49 |
| 3eoc | LEU83 | 0.31 | -2.93 | -2.62 | 1.91 | -0.70 |
| 3eoc | GLN85 | -1.51 | -1.17 | -2.68 | 0.87 | -1.81 |
| 3eoc | LEU134 | -0.66 | 0.14 | -0.52 | -0.17 | -0.70 |
