Binding information for 1nhg_ligand_1_1.mol2(FDBF03634)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1nhg_ligand_1_1.mol2 | 1nhg | 1 | -6.59 | Oc1c(cc(cc1)Cl)Cl | 9 |
Structure and binding mode of 1nhg_ligand_1_1.mol2(FDBF03634)
Important binding residues for 1nhg_ligand_1_1.mol2(FDBF03634)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1nhg | ALA217 | -0.75 | -0.58 | -1.33 | 0.85 | -0.48 |
| 1nhg | ASN218 | -0.99 | -0.54 | -1.53 | 1.07 | -0.45 |
| 1nhg | MET281 | -1.05 | 0.42 | -0.63 | -0.12 | -0.75 |
| 1nhg | ALA319 | -0.78 | -0.24 | -1.02 | 0.09 | -0.93 |
