Binding information for 1d8e_ligand_3_161.mol2(FDBF07476)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1d8e_ligand_3_161.mol2 | 1d8e | 0.7 | -5.26 | CONC(=O)C | 6 |
Structure and binding mode of 1d8e_ligand_3_161.mol2(FDBF07476)
Important binding residues for 1d8e_ligand_3_161.mol2(FDBF07476)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1d8e | TYR200 | -0.60 | -0.49 | -1.09 | 0.60 | -0.48 |
