Binding information for 5d1r_ligand_6_65.mol2(FDBF00083)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5d1r_ligand_6_65.mol2 | 5d1r | 1 | -6.58 | C(=C\C)/C/C=C\C | 7 |
Structure and binding mode of 5d1r_ligand_6_65.mol2(FDBF00083)
Important binding residues for 5d1r_ligand_6_65.mol2(FDBF00083)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5d1r | VAL139 | -1.02 | -0.11 | -1.13 | -0.12 | -1.25 |
| 5d1r | PHE190 | -0.67 | -0.12 | -0.79 | 0.47 | -0.31 |
| 5d1r | TRP193 | -0.77 | 0.20 | -0.57 | 0.25 | -0.32 |
| 5d1r | TYR208 | -1.47 | 0.36 | -1.11 | 0.72 | -0.38 |
| 5d1r | MET212 | -1.06 | 0.14 | -0.92 | 0.23 | -0.69 |
