Binding information for 1g2m_ligand_2_9.mol2(FDBF02187)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1g2m_ligand_2_9.mol2 | 1g2m | 0.835165 | -7.91 | [nH]1c[n+](c2c1cc(cc2)C[n+]1c([nH]c2c1cccc2)C)C | 21 |
Structure and binding mode of 1g2m_ligand_2_9.mol2(FDBF02187)
Important binding residues for 1g2m_ligand_2_9.mol2(FDBF02187)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1g2m | THR98 | -0.79 | -0.21 | -1 | 0.37 | -0.64 |
| 1g2m | TYR99 | -2.31 | -1.14 | -3.45 | 2.28 | -1.17 |
| 1g2m | PHE174 | -3.11 | 0.33 | -2.78 | 0.37 | -2.41 |
| 1g2m | SER195 | -0.29 | -0.47 | -0.76 | 0.43 | -0.33 |
| 1g2m | TRP215 | -3.21 | -0.88 | -4.09 | 1.72 | -2.37 |
