Binding information for 4cp5_ligand_3_22.mol2(FDBF00684)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4cp5_ligand_3_22.mol2 | 4cp5 | 1 | -5.49 | CC(C)OC | 5 |
Structure and binding mode of 4cp5_ligand_3_22.mol2(FDBF00684)
Important binding residues for 4cp5_ligand_3_22.mol2(FDBF00684)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4cp5 | LEU68 | -0.65 | 0.55 | -0.1 | -0.48 | -0.58 |
