Binding information for 1g32_ligand_3_9.mol2(FDBF02187)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1g32_ligand_3_9.mol2 | 1g32 | 0.846154 | -8.04 | [nH]1c2c([n+](c1C)C)ccc(c2)C[n+]1c([nH]c2c1cccc2)C | 22 |
Structure and binding mode of 1g32_ligand_3_9.mol2(FDBF02187)
Important binding residues for 1g32_ligand_3_9.mol2(FDBF02187)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1g32 | TRP60D | -1.90 | -0.26 | -2.16 | 0.91 | -1.25 |
| 1g32 | LEU99 | -1.60 | 0.09 | -1.51 | -0.03 | -1.54 |
| 1g32 | ILE174 | -1.16 | -0.34 | -1.5 | 0.02 | -1.48 |
| 1g32 | SER195 | -0.53 | -0.35 | -0.88 | 0.32 | -0.56 |
| 1g32 | TRP215 | -3.54 | -1.17 | -4.71 | 1.62 | -3.09 |
