Binding information for 4ht2_ligand_frag_3.mol2(FDBF03061)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ht2_ligand_frag_3.mol2 | 4ht2 | 1 | -5.68 | c1nc(cc(n1)C)C | 8 |
Structure and binding mode of 4ht2_ligand_frag_3.mol2(FDBF03061)
Important binding residues for 4ht2_ligand_frag_3.mol2(FDBF03061)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ht2 | ALA129 | -0.76 | -0.28 | -1.04 | 0.56 | -0.48 |
| 4ht2 | SER130 | -0.71 | -0.09 | -0.8 | 0.49 | -0.31 |
| 4ht2 | SER133 | -1.14 | 0.64 | -0.5 | -0.08 | -0.59 |
| 4ht2 | LEU139 | -0.62 | 0.02 | -0.6 | 0.04 | -0.56 |
| 4ht2 | LEU197 | -0.57 | -0.08 | -0.65 | 0.05 | -0.61 |
