Binding information for 5d1r_ligand_7_50.mol2(FDBF00084)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5d1r_ligand_7_50.mol2 | 5d1r | 1 | -6.81 | C(=C\CC)/C/C=C\C | 8 |
Structure and binding mode of 5d1r_ligand_7_50.mol2(FDBF00084)
Important binding residues for 5d1r_ligand_7_50.mol2(FDBF00084)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5d1r | VAL139 | -1.09 | -0.13 | -1.22 | -0.12 | -1.33 |
| 5d1r | PHE143 | -0.55 | -0.00 | -0.55 | 0.23 | -0.32 |
| 5d1r | PHE190 | -1.04 | -0.10 | -1.14 | 0.53 | -0.60 |
| 5d1r | TRP193 | -0.97 | 0.20 | -0.77 | 0.30 | -0.47 |
| 5d1r | TYR208 | -1.50 | 0.37 | -1.13 | 0.75 | -0.38 |
| 5d1r | MET212 | -1.10 | 0.13 | -0.97 | 0.26 | -0.71 |
