Binding information for 4fqo_ligand_3_0.mol2(FDBF01715)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fqo_ligand_3_0.mol2 | 4fqo | 0.952381 | -5.70 | C(C)Oc1ccc(C(=N)N)cc1 | 12 |
Structure and binding mode of 4fqo_ligand_3_0.mol2(FDBF01715)
Important binding residues for 4fqo_ligand_3_0.mol2(FDBF01715)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fqo | PHE43 | -1.07 | -0.82 | -1.89 | 0.89 | -1.00 |
| 4fqo | LEU44 | -0.33 | -0.60 | -0.93 | 0.51 | -0.42 |
| 4fqo | PHE87 | -0.81 | -0.05 | -0.86 | 0.33 | -0.53 |
