Binding information for 4o9v_ligand_2_14.mol2(FDBF01715)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4o9v_ligand_2_14.mol2 | 4o9v | 0.909091 | -6.50 | c1cccc(c1)Oc1ccc(cc1)C(=N)N | 16 |
Structure and binding mode of 4o9v_ligand_2_14.mol2(FDBF01715)
Important binding residues for 4o9v_ligand_2_14.mol2(FDBF01715)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4o9v | HIS57 | -2.33 | 0.27 | -2.06 | 0.80 | -1.25 |
| 4o9v | ILE60 | -0.74 | 0.45 | -0.29 | -0.25 | -0.53 |
| 4o9v | GLN192 | -0.47 | -0.10 | -0.57 | 0.16 | -0.41 |
| 4o9v | SER195 | -0.43 | 0.08 | -0.35 | 0.03 | -0.32 |
| 4o9v | TRP215 | -0.76 | 0.35 | -0.41 | -0.06 | -0.47 |
