Binding information for 5c2e_ligand_2_15.mol2(FDBF00585)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5c2e_ligand_2_15.mol2 | 5c2e | 1 | -6.13 | CCc1ncccc1 | 8 |
Structure and binding mode of 5c2e_ligand_2_15.mol2(FDBF00585)
Important binding residues for 5c2e_ligand_2_15.mol2(FDBF00585)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5c2e | PHE686 | -0.66 | 0.03 | -0.63 | 0.07 | -0.56 |
| 5c2e | MET703 | -0.85 | -0.75 | -1.6 | 1.16 | -0.44 |
| 5c2e | PHE719 | -2.08 | -0.69 | -2.77 | 0.58 | -2.19 |
| 5c2e | VAL723 | -0.25 | -0.08 | -0.33 | 0.01 | -0.32 |
