Binding information for 1w5w_ligand_3_66.mol2(FDBF00266)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w5w_ligand_3_66.mol2 | 1w5w | 0.72093 | -6.22 | COCc1c(cc(cc1)F)F | 11 |
Structure and binding mode of 1w5w_ligand_3_66.mol2(FDBF00266)
Important binding residues for 1w5w_ligand_3_66.mol2(FDBF00266)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1w5w | GLY49 | -0.53 | -0.87 | -1.4 | 0.65 | -0.75 |
| 1w5w | ILE50 | -0.57 | -0.14 | -0.71 | 0.11 | -0.60 |
| 1w5w | PRO81 | -0.95 | -0.15 | -1.1 | 0.21 | -0.89 |
| 1w5w | VAL82 | -1.38 | 0.09 | -1.29 | -0.03 | -1.32 |
