Binding information for 1nms_ligand_3_25.mol2(FDBF07593)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1nms_ligand_3_25.mol2 | 1nms | 1 | -6.70 | Cc1ccc(cc1)C(=O)NC | 11 |
Structure and binding mode of 1nms_ligand_3_25.mol2(FDBF07593)
Important binding residues for 1nms_ligand_3_25.mol2(FDBF07593)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1nms | SER205 | -0.19 | -2.38 | -2.57 | 2.20 | -0.37 |
| 1nms | TRP206 | -1.42 | 0.04 | -1.38 | 0.73 | -0.65 |
