Binding information for 1g2l_ligand_1_2.mol2(FDBF03537)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1g2l_ligand_1_2.mol2 | 1g2l | 0.685714 | -6.35 | Cc1[nH]c2c([n+]1C)cccc2 | 11 |
Structure and binding mode of 1g2l_ligand_1_2.mol2(FDBF03537)
Important binding residues for 1g2l_ligand_1_2.mol2(FDBF03537)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1g2l | TYR100 | -1.06 | -0.54 | -1.6 | 1.15 | -0.46 |
| 1g2l | GLN197 | -0.79 | 0.92 | 0.13 | -0.47 | -0.34 |
| 1g2l | SER200 | -0.43 | -0.24 | -0.67 | 0.28 | -0.39 |
| 1g2l | TRP220 | -2.14 | -0.94 | -3.08 | 0.97 | -2.11 |
