Binding information for 1g36_ligand_3_9.mol2(FDBF02187)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1g36_ligand_3_9.mol2 | 1g36 | 0.846154 | -7.09 | [n+]1(c([nH]c2c1cccc2)C)Cc1ccc2c([nH]c([n+]2C)C)c1 | 22 |
Structure and binding mode of 1g36_ligand_3_9.mol2(FDBF02187)
Important binding residues for 1g36_ligand_3_9.mol2(FDBF02187)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1g36 | THR98 | -0.97 | 0.05 | -0.92 | 0.23 | -0.69 |
| 1g36 | GLN175 | -1.29 | -1.66 | -2.95 | 2.07 | -0.88 |
| 1g36 | TRP215 | -3.57 | -1.09 | -4.66 | 1.54 | -3.12 |
