Binding information for 1m0q_ligand_1_1.mol2(FDBF00001)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1m0q_ligand_1_1.mol2 | 1m0q | 0.285714 | -5.51 | N(=C)CC | 4 |
Structure and binding mode of 1m0q_ligand_1_1.mol2(FDBF00001)
Important binding residues for 1m0q_ligand_1_1.mol2(FDBF00001)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1m0q | GLN246 | -0.34 | -0.89 | -1.23 | 0.83 | -0.40 |
