Binding information for 5d1r_ligand_3_64.mol2(FDBF00081)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5d1r_ligand_3_64.mol2 | 5d1r | 1 | -6.67 | CCCCC | 5 |
Structure and binding mode of 5d1r_ligand_3_64.mol2(FDBF00081)
Important binding residues for 5d1r_ligand_3_64.mol2(FDBF00081)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5d1r | VAL139 | -0.38 | -0.00 | -0.38 | 0.03 | -0.35 |
| 5d1r | PHE142 | -0.51 | -0.01 | -0.52 | 0.02 | -0.51 |
| 5d1r | PHE143 | -0.96 | 0.01 | -0.95 | 0.40 | -0.55 |
| 5d1r | PHE190 | -1.18 | -0.02 | -1.2 | 0.53 | -0.67 |
| 5d1r | LEU192 | -0.54 | 0.01 | -0.53 | -0.10 | -0.63 |
| 5d1r | TRP193 | -0.86 | 0.02 | -0.84 | 0.22 | -0.63 |
