Binding information for 2cng_ligand_1_6.mol2(FDBF00844)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2cng_ligand_1_6.mol2 | 2cng | 1 | -5.35 | NC(=O)C(F)(F)F | 7 |
Structure and binding mode of 2cng_ligand_1_6.mol2(FDBF00844)
Important binding residues for 2cng_ligand_1_6.mol2(FDBF00844)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2cng | TYR46 | -1.32 | -0.09 | -1.41 | 0.42 | -0.99 |
| 2cng | ASP48 | 0.33 | -12.13 | -11.8 | 11.14 | -0.66 |
