Binding information for 2wi7_ligand_1_2.mol2(FDBF03634)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2wi7_ligand_1_2.mol2 | 2wi7 | 1 | -6.47 | Oc1ccc(cc1Cl)Cl | 9 |
Structure and binding mode of 2wi7_ligand_1_2.mol2(FDBF03634)
Important binding residues for 2wi7_ligand_1_2.mol2(FDBF03634)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2wi7 | ASN51 | -1.19 | -0.25 | -1.44 | 0.69 | -0.76 |
| 2wi7 | MET98 | -0.63 | 0.04 | -0.59 | 0.05 | -0.55 |
| 2wi7 | LEU107 | -1.04 | -0.16 | -1.2 | -0.00 | -1.20 |
| 2wi7 | PHE138 | -1.87 | -0.36 | -2.23 | 0.39 | -1.84 |
