Binding information for 2h9t_ligand_1_2.mol2(FDBF00497)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2h9t_ligand_1_2.mol2 | 2h9t | 0.8 | -6.15 | N(C=O)c1ccccc1C | 10 |
Structure and binding mode of 2h9t_ligand_1_2.mol2(FDBF00497)
Important binding residues for 2h9t_ligand_1_2.mol2(FDBF00497)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2h9t | TRP237 | -0.80 | 0.10 | -0.7 | 0.25 | -0.46 |
| 2h9t | LYS240 | -1.77 | 0.40 | -1.37 | 0.40 | -0.97 |
