Binding information for 2g2r_ligand_1_4.mol2(FDBF00049)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2g2r_ligand_1_4.mol2 | 2g2r | 1 | -6.38 | c1(ccccc1)NC | 8 |
Structure and binding mode of 2g2r_ligand_1_4.mol2(FDBF00049)
Important binding residues for 2g2r_ligand_1_4.mol2(FDBF00049)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2g2r | PHE94 | -0.84 | 0.01 | -0.83 | 0.15 | -0.68 |
| 2g2r | TYR33 | -2.04 | -0.18 | -2.22 | 0.76 | -1.46 |
| 2g2r | VAL50 | -0.40 | -0.03 | -0.43 | -0.11 | -0.53 |
| 2g2r | TYR95 | -1.02 | -0.12 | -1.14 | 0.31 | -0.83 |
