Binding information for 4zip_ligand_1_11.mol2(FDBF05740)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zip_ligand_1_11.mol2 | 4zip | 1 | -6.90 | c1cc(cc(c1)C(=O)NC)C | 11 |
Structure and binding mode of 4zip_ligand_1_11.mol2(FDBF05740)
Important binding residues for 4zip_ligand_1_11.mol2(FDBF05740)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4zip | ARG8 | -0.40 | -4.78 | -5.18 | 4.58 | -0.60 |
| 4zip | ILE50 | -0.45 | 0.02 | -0.43 | -0.07 | -0.49 |
| 4zip | ALA28 | -1.60 | -1.57 | -3.17 | 0.61 | -2.57 |
| 4zip | ILE47 | -1.55 | 0.12 | -1.43 | -0.17 | -1.60 |
| 4zip | ILE84 | -0.37 | -0.02 | -0.39 | 0.00 | -0.39 |
