Binding information for 4li6_ligand_3_34.mol2(FDBF00227)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4li6_ligand_3_34.mol2 | 4li6 | 1 | -7.14 | C(Cc1ccccc1)C(=O)N | 11 |
Structure and binding mode of 4li6_ligand_3_34.mol2(FDBF00227)
Important binding residues for 4li6_ligand_3_34.mol2(FDBF00227)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4li6 | PHE1188 | -0.82 | -0.20 | -1.02 | 0.41 | -0.61 |
| 4li6 | PHE1197 | -0.54 | -0.03 | -0.57 | 0.16 | -0.41 |
| 4li6 | HIS1201 | -1.10 | 0.03 | -1.07 | 0.47 | -0.61 |
| 4li6 | ALA1202 | -0.71 | 0.37 | -0.34 | -0.08 | -0.42 |
| 4li6 | ILE1212 | -1.54 | -1.74 | -3.28 | 0.70 | -2.58 |
| 4li6 | TYR1213 | -1.60 | -0.86 | -2.46 | 0.44 | -2.03 |
| 4li6 | TYR1224 | -0.34 | 0.01 | -0.33 | -0.03 | -0.36 |
