Binding information for 4uuq_ligand_2_1.mol2(FDBF00473)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4uuq_ligand_2_1.mol2 | 4uuq | 0.434343 | -6.70 | N(S(=O)(=O)c1ccc(cc1)Cl)C | 12 |
Structure and binding mode of 4uuq_ligand_2_1.mol2(FDBF00473)
Important binding residues for 4uuq_ligand_2_1.mol2(FDBF00473)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4uuq | LEU158 | -0.97 | -0.21 | -1.18 | -0.05 | -1.23 |
| 4uuq | ALA161 | -0.72 | -1.04 | -1.76 | 0.58 | -1.18 |
| 4uuq | ASN162 | -0.89 | -1.81 | -2.7 | 0.88 | -1.82 |
| 4uuq | ALA166 | -0.73 | 0.04 | -0.69 | -0.04 | -0.73 |
| 4uuq | LEU215 | -0.97 | 0.87 | -0.1 | -0.64 | -0.74 |
| 4uuq | LEU223 | -1.68 | 0.88 | -0.8 | -0.83 | -1.63 |
| 4uuq | LEU224 | -1.55 | 0.21 | -1.34 | -0.27 | -1.61 |
| 4uuq | VAL227 | -0.41 | -0.37 | -0.78 | 0.26 | -0.52 |
