Binding information for 3bym_ligand_3_37.mol2(FDBF02612)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3bym_ligand_3_37.mol2 | 3bym | 1 | -6.04 | O(C)c1cc(N)cc(OC)c1 | 11 |
Structure and binding mode of 3bym_ligand_3_37.mol2(FDBF02612)
Important binding residues for 3bym_ligand_3_37.mol2(FDBF02612)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3bym | LEU251 | -1.73 | -0.05 | -1.78 | -0.07 | -1.84 |
| 3bym | MET319 | -0.29 | -2.01 | -2.3 | 1.23 | -1.07 |
| 3bym | ASN321 | -0.38 | 0.03 | -0.35 | -0.12 | -0.46 |
| 3bym | GLY322 | -1.02 | -0.89 | -1.91 | 0.75 | -1.16 |
| 3bym | LEU371 | -0.65 | 0.12 | -0.53 | -0.17 | -0.69 |
