Binding information for 3chp_ligand_1_0.mol2(FDBF01315)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3chp_ligand_1_0.mol2 | 3chp | 1 | -6.98 | C(=O)Nc1ccccc1 | 9 |
Structure and binding mode of 3chp_ligand_1_0.mol2(FDBF01315)
Important binding residues for 3chp_ligand_1_0.mol2(FDBF01315)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3chp | GLN136 | -1.32 | 0.24 | -1.08 | 0.25 | -0.83 |
| 3chp | ALA137 | -0.78 | -0.05 | -0.83 | -0.06 | -0.89 |
| 3chp | TYR267 | -0.91 | -1.28 | -2.19 | 1.29 | -0.90 |
| 3chp | PHE314 | -0.99 | -0.44 | -1.43 | 0.86 | -0.57 |
| 3chp | PRO374 | -0.75 | 0.21 | -0.54 | 0.09 | -0.45 |
| 3chp | TYR378 | -1.78 | -1.37 | -3.15 | 1.45 | -1.69 |
