Binding information for 1g2m_ligand_3_9.mol2(FDBF02187)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1g2m_ligand_3_9.mol2 | 1g2m | 0.846154 | -8.14 | [nH]1c([n+](c2c1cc(cc2)C[n+]1c([nH]c2c1cccc2)C)C)C | 22 |
Structure and binding mode of 1g2m_ligand_3_9.mol2(FDBF02187)
Important binding residues for 1g2m_ligand_3_9.mol2(FDBF02187)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1g2m | THR98 | -0.79 | -0.21 | -1 | 0.36 | -0.64 |
| 1g2m | TYR99 | -2.31 | -1.13 | -3.44 | 2.27 | -1.17 |
| 1g2m | PHE174 | -3.12 | 0.33 | -2.79 | 0.37 | -2.41 |
| 1g2m | SER195 | -0.42 | -0.54 | -0.96 | 0.51 | -0.46 |
| 1g2m | TRP215 | -3.32 | -0.94 | -4.26 | 1.84 | -2.42 |
