Binding information for 4b81_ligand_1_5.mol2(FDBF00205)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4b81_ligand_1_5.mol2 | 4b81 | 1 | -6.93 | Cc1ccc(cc1)Cl | 8 |
Structure and binding mode of 4b81_ligand_1_5.mol2(FDBF00205)
Important binding residues for 4b81_ligand_1_5.mol2(FDBF00205)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4b81 | TRP286 | -1.04 | 0.27 | -0.77 | 0.14 | -0.64 |
| 4b81 | PHE338 | -0.79 | 0.05 | -0.74 | 0.38 | -0.35 |
| 4b81 | TYR341 | -1.81 | 0.19 | -1.62 | 0.49 | -1.13 |
