Binding information for 1bmq_ligand_1_0.mol2(FDBF01380)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1bmq_ligand_1_0.mol2 | 1bmq | 1 | -6.76 | C(=O)(N)c1cc2c(cc1)cccc2 | 13 |
Structure and binding mode of 1bmq_ligand_1_0.mol2(FDBF01380)
Important binding residues for 1bmq_ligand_1_0.mol2(FDBF01380)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1bmq | HIS342 | -2.01 | -0.14 | -2.15 | 0.67 | -1.49 |
| 1bmq | PRO343 | -0.42 | -0.13 | -0.55 | 0.18 | -0.37 |
| 1bmq | VAL348 | -0.36 | -1.08 | -1.44 | 1.13 | -0.31 |
| 1bmq | ARG383 | -2.51 | -4.33 | -6.84 | 5.23 | -1.61 |
