Binding information for 5d1r_ligand_5_231.mol2(FDBF00019)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5d1r_ligand_5_231.mol2 | 5d1r | 1 | -6.68 | C(=C\CCC)/C | 6 |
Structure and binding mode of 5d1r_ligand_5_231.mol2(FDBF00019)
Important binding residues for 5d1r_ligand_5_231.mol2(FDBF00019)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5d1r | VAL139 | -0.46 | -0.09 | -0.55 | -0.12 | -0.68 |
| 5d1r | PHE190 | -1.39 | -0.08 | -1.47 | 0.59 | -0.88 |
| 5d1r | TYR208 | -1.02 | -0.04 | -1.06 | 0.56 | -0.49 |
| 5d1r | MET212 | -0.72 | 0.21 | -0.51 | 0.19 | -0.33 |
