Binding information for 3f6e_ligand_2_32.mol2(FDBF00111)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3f6e_ligand_2_32.mol2 | 3f6e | 1 | -6.36 | Cc1sc[n+](C)c1C | 8 |
Structure and binding mode of 3f6e_ligand_2_32.mol2(FDBF00111)
Important binding residues for 3f6e_ligand_2_32.mol2(FDBF00111)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3f6e | HIS70 | -0.78 | -0.05 | -0.83 | -0.00 | -0.84 |
