Binding information for 4zip_ligand_2_88.mol2(FDBF05740)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4zip_ligand_2_88.mol2 | 4zip | 1 | -6.98 | c1cc(cc(c1)C(=O)N(C)C)C | 12 |
Structure and binding mode of 4zip_ligand_2_88.mol2(FDBF05740)
Important binding residues for 4zip_ligand_2_88.mol2(FDBF05740)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4zip | ARG8 | -0.68 | -4.55 | -5.23 | 4.66 | -0.57 |
| 4zip | ILE50 | -0.44 | 0.02 | -0.42 | -0.07 | -0.49 |
| 4zip | ALA28 | -1.63 | -1.63 | -3.26 | 0.58 | -2.69 |
| 4zip | ILE47 | -1.58 | 0.13 | -1.45 | -0.21 | -1.65 |
| 4zip | ILE84 | -0.37 | -0.02 | -0.39 | -0.00 | -0.40 |
