Binding information for 2cng_ligand_3_27.mol2(FDBF04541)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2cng_ligand_3_27.mol2 | 2cng | 0.894737 | -5.75 | N(C(=O)C(F)(F)F)CC | 9 |
Structure and binding mode of 2cng_ligand_3_27.mol2(FDBF04541)
Important binding residues for 2cng_ligand_3_27.mol2(FDBF04541)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2cng | TYR46 | -2.12 | -0.21 | -2.33 | 0.69 | -1.65 |
