Binding information for 6gch_ligand_1_3.mol2(FDBF07573)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 6gch_ligand_1_3.mol2 | 6gch | 0.571429 | -5.46 | C(O)C(F)(F)F | 6 |
Structure and binding mode of 6gch_ligand_1_3.mol2(FDBF07573)
Important binding residues for 6gch_ligand_1_3.mol2(FDBF07573)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 6gch | MET192 | -0.49 | -1.32 | -1.81 | 0.90 | -0.90 |
