Binding information for 4i9i_ligand_2_11.mol2(FDBF04103)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4i9i_ligand_2_11.mol2 | 4i9i | 1 | -7.14 | c1(ccccc1)NC(=O)C | 10 |
Structure and binding mode of 4i9i_ligand_2_11.mol2(FDBF04103)
Important binding residues for 4i9i_ligand_2_11.mol2(FDBF04103)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4i9i | HIS1184 | -1.03 | -0.56 | -1.59 | 0.72 | -0.86 |
| 4i9i | PHE1188 | -0.70 | -0.05 | -0.75 | 0.26 | -0.48 |
| 4i9i | ILE1192 | -0.43 | -0.04 | -0.47 | -0.04 | -0.51 |
| 4i9i | ALA1202 | -0.55 | -0.57 | -1.12 | 0.46 | -0.67 |
| 4i9i | TYR1203 | -1.29 | 0.00 | -1.29 | 0.13 | -1.16 |
| 4i9i | ILE1212 | -1.03 | -1.37 | -2.4 | 0.47 | -1.92 |
| 4i9i | TYR1213 | -1.07 | -1.92 | -2.99 | 0.70 | -2.29 |
| 4i9i | TYR1224 | -0.32 | -0.13 | -0.45 | 0.11 | -0.35 |
