Binding information for 5d1r_ligand_3_7.mol2(FDBF03864)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5d1r_ligand_3_7.mol2 | 5d1r | 0.782609 | -6.25 | C(=O)(OC(C)C)/C=C/C | 9 |
Structure and binding mode of 5d1r_ligand_3_7.mol2(FDBF03864)
Important binding residues for 5d1r_ligand_3_7.mol2(FDBF03864)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5d1r | PRO128 | -0.65 | 0.24 | -0.41 | -0.23 | -0.64 |
| 5d1r | ALA132 | -1.23 | -0.09 | -1.32 | 0.14 | -1.18 |
| 5d1r | ALA135 | -0.73 | -0.42 | -1.15 | 0.54 | -0.61 |
| 5d1r | MET212 | -0.51 | 0.00 | -0.51 | 0.05 | -0.45 |
