Binding information for 4ifh_ligand_2_27.mol2(FDBF07593)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ifh_ligand_2_27.mol2 | 4ifh | 1 | -6.60 | N(C(=O)c1ccc(cc1)C)C | 11 |
Structure and binding mode of 4ifh_ligand_2_27.mol2(FDBF07593)
Important binding residues for 4ifh_ligand_2_27.mol2(FDBF07593)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ifh | PHE115 | -1.04 | 0.33 | -0.71 | -0.09 | -0.81 |
| 4ifh | SER138 | -0.60 | 0.44 | -0.16 | -0.20 | -0.36 |
| 4ifh | GLU817 | -0.85 | -2.28 | -3.13 | 2.75 | -0.38 |
| 4ifh | PHE820 | -2.56 | 0.77 | -1.79 | -0.07 | -1.86 |
