Binding information for 1bil_ligand_5_3090.mol2(FDBF00336)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1bil_ligand_5_3090.mol2 | 1bil | 1 | -6.07 | C(C)(C(=O)NCCO)C | 9 |
Structure and binding mode of 1bil_ligand_5_3090.mol2(FDBF00336)
Important binding residues for 1bil_ligand_5_3090.mol2(FDBF00336)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1bil | GLY34 | -0.39 | -0.31 | -0.7 | -0.32 | -1.02 |
| 1bil | TYR75 | -1.06 | -0.50 | -1.56 | 0.59 | -0.97 |
| 1bil | SER76 | -0.69 | -1.70 | -2.39 | 1.77 | -0.62 |
| 1bil | GLY217 | -0.62 | -2.19 | -2.81 | 1.57 | -1.25 |
| 1bil | MET289 | -0.47 | 0.15 | -0.32 | -0.05 | -0.38 |
