Binding information for 5d1r_ligand.mol2(FDBF00392)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5d1r_ligand.mol2 | 5d1r | 0.757576 | -8.07 | C(CCCCCCCCC)CC(=O)OC(C)C | 18 |
Structure and binding mode of 5d1r_ligand.mol2(FDBF00392)
Important binding residues for 5d1r_ligand.mol2(FDBF00392)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5d1r | PRO128 | -0.66 | 0.22 | -0.44 | -0.21 | -0.64 |
| 5d1r | ALA132 | -1.28 | -0.22 | -1.5 | 0.26 | -1.24 |
| 5d1r | ALA135 | -0.92 | -0.26 | -1.18 | 0.61 | -0.57 |
| 5d1r | PHE142 | -0.53 | 0.01 | -0.52 | 0.01 | -0.52 |
| 5d1r | PHE143 | -1.06 | 0.03 | -1.03 | 0.46 | -0.57 |
| 5d1r | CYS189 | -0.99 | 0.03 | -0.96 | 0.62 | -0.35 |
| 5d1r | PHE190 | -1.74 | -0.00 | -1.74 | 0.66 | -1.08 |
| 5d1r | LEU192 | -0.55 | 0.04 | -0.51 | -0.15 | -0.66 |
| 5d1r | TRP193 | -1.41 | 0.06 | -1.35 | 0.53 | -0.83 |
| 5d1r | MET212 | -1.06 | 0.08 | -0.98 | 0.31 | -0.67 |
