Binding information for 2nyr_ligand_1_7.mol2(FDBF00495)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2nyr_ligand_1_7.mol2 | 2nyr | 0.941176 | -5.90 | c1(ccccc1C)NC=O | 10 |
Structure and binding mode of 2nyr_ligand_1_7.mol2(FDBF00495)
Important binding residues for 2nyr_ligand_1_7.mol2(FDBF00495)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2nyr | ARG71 | -0.86 | -0.08 | -0.94 | 0.13 | -0.82 |
| 2nyr | PHE223 | -0.94 | -0.58 | -1.52 | 0.58 | -0.94 |
| 2nyr | TYR255 | -1.18 | 0.24 | -0.94 | -0.06 | -1.00 |
