Binding information for 2g1r_ligand_2_9.mol2(FDBF00228)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2g1r_ligand_2_9.mol2 | 2g1r | 1 | -6.17 | C(NC(=O)C)C | 6 |
Structure and binding mode of 2g1r_ligand_2_9.mol2(FDBF00228)
Important binding residues for 2g1r_ligand_2_9.mol2(FDBF00228)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2g1r | THR13 | -0.87 | 0.09 | -0.78 | 0.38 | -0.40 |
| 2g1r | GLN14 | 0.27 | -2.54 | -2.27 | 0.75 | -1.51 |
| 2g1r | TYR15 | 0.08 | -2.06 | -1.98 | 0.61 | -1.37 |
| 2g1r | VAL31 | -1.33 | -0.20 | -1.53 | 0.03 | -1.50 |
| 2g1r | PHE119 | -0.64 | 0.88 | 0.24 | -0.63 | -0.39 |
| 2g1r | GLY223 | -0.63 | -1.77 | -2.4 | 1.92 | -0.48 |
| 2g1r | ALA224 | -0.64 | -0.21 | -0.85 | 0.35 | -0.50 |
