Binding information for 5d1r_ligand_2_16.mol2(FDBF00190)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5d1r_ligand_2_16.mol2 | 5d1r | 1 | -5.93 | C(=O)(OC(C)C)CC | 8 |
Structure and binding mode of 5d1r_ligand_2_16.mol2(FDBF00190)
Important binding residues for 5d1r_ligand_2_16.mol2(FDBF00190)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5d1r | PRO128 | -0.65 | 0.21 | -0.44 | -0.21 | -0.64 |
| 5d1r | ALA132 | -1.27 | -0.24 | -1.51 | 0.27 | -1.25 |
| 5d1r | ALA135 | -0.79 | -0.28 | -1.07 | 0.52 | -0.55 |
| 5d1r | MET212 | -0.39 | 0.08 | -0.31 | -0.04 | -0.35 |
