Binding information for 2xhr_ligand_3_9.mol2(FDBF04171)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xhr_ligand_3_9.mol2 | 2xhr | 1 | -5.11 | C([NH+]1CCOCC1)CO | 9 |
Structure and binding mode of 2xhr_ligand_3_9.mol2(FDBF04171)
Important binding residues for 2xhr_ligand_3_9.mol2(FDBF04171)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2xhr | ASN106 | -1.69 | -0.42 | -2.11 | 0.51 | -1.60 |
| 2xhr | ALA111 | -0.63 | 0.50 | -0.13 | -0.49 | -0.61 |
