Binding information for 2xhr_ligand_1_1.mol2(FDBF03634)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xhr_ligand_1_1.mol2 | 2xhr | 1 | -6.64 | c1cc(c(Cl)cc1Cl)O | 9 |
Structure and binding mode of 2xhr_ligand_1_1.mol2(FDBF03634)
Important binding residues for 2xhr_ligand_1_1.mol2(FDBF03634)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xhr | ASN51 | -0.94 | -0.17 | -1.11 | 0.55 | -0.57 |
| 2xhr | MET98 | -0.66 | 0.03 | -0.63 | 0.01 | -0.61 |
| 2xhr | ASN106 | -0.60 | -0.37 | -0.97 | 0.35 | -0.62 |
| 2xhr | PHE138 | -1.91 | -0.44 | -2.35 | 0.38 | -1.97 |
| 2xhr | TYR139 | -0.58 | 0.07 | -0.51 | 0.19 | -0.32 |
| 2xhr | VAL150 | -0.45 | -0.05 | -0.5 | 0.01 | -0.50 |
