Binding information for 4r92_ligand_2_16.mol2(FDBF00332)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4r92_ligand_2_16.mol2 | 4r92 | 1 | -6.79 | C[C@@H]1C[C@H](NC=O)CCC1 | 10 |
Structure and binding mode of 4r92_ligand_2_16.mol2(FDBF00332)
Important binding residues for 4r92_ligand_2_16.mol2(FDBF00332)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4r92 | LEU91 | -0.66 | 0.63 | -0.03 | -0.46 | -0.49 |
| 4r92 | TYR132 | -1.46 | -0.16 | -1.62 | 0.66 | -0.95 |
| 4r92 | PHE169 | -2.15 | -2.18 | -4.33 | 2.72 | -1.61 |
| 4r92 | ILE171 | -0.72 | -0.06 | -0.78 | 0.01 | -0.78 |
| 4r92 | ILE179 | -0.90 | 0.02 | -0.88 | -0.09 | -0.97 |
