Binding information for 2g2r_ligand_3_25.mol2(FDBF02825)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2g2r_ligand_3_25.mol2 | 2g2r | 1 | -6.53 | C(C)N(c1ccccc1)C | 10 |
Structure and binding mode of 2g2r_ligand_3_25.mol2(FDBF02825)
Important binding residues for 2g2r_ligand_3_25.mol2(FDBF02825)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2g2r | PHE94 | -1.11 | -0.09 | -1.2 | 0.37 | -0.84 |
| 2g2r | TYR33 | -2.50 | -0.10 | -2.6 | 1.17 | -1.43 |
| 2g2r | VAL50 | -0.42 | -0.04 | -0.46 | -0.17 | -0.63 |
| 2g2r | TYR95 | -1.08 | -0.10 | -1.18 | 0.36 | -0.82 |
