Binding information for 1cyn_ligand_frag_4.mol2(FDBF00022)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1cyn_ligand_frag_4.mol2 | 1cyn | 1 | -5.01 | C=CC | 3 |
Structure and binding mode of 1cyn_ligand_frag_4.mol2(FDBF00022)
Important binding residues for 1cyn_ligand_frag_4.mol2(FDBF00022)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1cyn | GLY112 | -0.28 | -0.02 | -0.3 | -0.03 | -0.33 |
