Binding information for 1cnw_ligand_4_285.mol2(FDBF06535)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1cnw_ligand_4_285.mol2 | 1cnw | 0.863636 | -4.86 | O(CCNC=O)C | 7 |
Structure and binding mode of 1cnw_ligand_4_285.mol2(FDBF06535)
Important binding residues for 1cnw_ligand_4_285.mol2(FDBF06535)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1cnw | PHE131 | -0.70 | -0.20 | -0.9 | 0.28 | -0.63 |
| 1cnw | VAL135 | -0.41 | -0.01 | -0.42 | 0.04 | -0.39 |
| 1cnw | LEU198 | -0.78 | 0.27 | -0.51 | -0.25 | -0.77 |
| 1cnw | PRO202 | -0.77 | -0.27 | -1.04 | 0.15 | -0.89 |
