Binding information for 1bzc_ligand_1_2.mol2(FDBF01380)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1bzc_ligand_1_2.mol2 | 1bzc | 1 | -7.53 | c1cccc2c1ccc(c2)C(=O)N | 13 |
Structure and binding mode of 1bzc_ligand_1_2.mol2(FDBF01380)
Important binding residues for 1bzc_ligand_1_2.mol2(FDBF01380)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1bzc | TYR46 | -3.25 | -0.14 | -3.39 | 1.06 | -2.32 |
| 1bzc | VAL49 | -0.64 | -0.81 | -1.45 | 1.14 | -0.32 |
| 1bzc | ASP181 | -0.44 | -0.20 | -0.64 | 0.31 | -0.33 |
| 1bzc | PHE182 | -1.41 | -0.05 | -1.46 | 0.49 | -0.97 |
| 1bzc | ALA217 | -0.98 | -0.19 | -1.17 | 0.16 | -1.01 |
| 1bzc | ILE219 | -0.58 | 0.17 | -0.41 | -0.06 | -0.47 |
