Binding information for 5d1r_ligand_6_203.mol2(FDBF00118)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5d1r_ligand_6_203.mol2 | 5d1r | 1 | -6.82 | C(=C\CCC)/CC | 7 |
Structure and binding mode of 5d1r_ligand_6_203.mol2(FDBF00118)
Important binding residues for 5d1r_ligand_6_203.mol2(FDBF00118)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5d1r | VAL139 | -0.65 | -0.11 | -0.76 | -0.12 | -0.88 |
| 5d1r | CYS189 | -0.59 | 0.04 | -0.55 | 0.25 | -0.31 |
| 5d1r | PHE190 | -1.41 | -0.08 | -1.49 | 0.60 | -0.89 |
| 5d1r | TYR208 | -1.20 | 0.02 | -1.18 | 0.68 | -0.50 |
| 5d1r | MET212 | -0.78 | 0.22 | -0.56 | 0.22 | -0.34 |
