Binding information for 5cp9_ligand_1_0.mol2(FDBF01618)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 5cp9_ligand_1_0.mol2 | 5cp9 | 1 | -6.07 | Cc1ccco1 | 6 |
Structure and binding mode of 5cp9_ligand_1_0.mol2(FDBF01618)
Important binding residues for 5cp9_ligand_1_0.mol2(FDBF01618)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 5cp9 | ARG181 | -0.52 | -2.92 | -3.44 | 2.54 | -0.90 |
| 5cp9 | TRP188 | -1.38 | 0.25 | -1.13 | 0.32 | -0.82 |
