Binding information for 2chm_ligand_2_35.mol2(FDBF00017)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2chm_ligand_2_35.mol2 | 2chm | 1 | -6.29 | C(=C\C)/C | 4 |
Structure and binding mode of 2chm_ligand_2_35.mol2(FDBF00017)
Important binding residues for 2chm_ligand_2_35.mol2(FDBF00017)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2chm | VAL782 | -0.67 | 0.01 | -0.66 | -0.15 | -0.82 |
| 2chm | ALA783 | -0.97 | -0.18 | -1.15 | 0.12 | -1.03 |
| 2chm | PHE786 | -0.51 | 0.05 | -0.46 | 0.07 | -0.39 |
| 2chm | ILE813 | -0.80 | 0.03 | -0.77 | 0.00 | -0.77 |
