Binding information for 3chd_ligand_3_80.mol2(FDBF00183)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3chd_ligand_3_80.mol2 | 3chd | 0.88 | -5.54 | C[C@H](N(C(=O)C)C)C(=O)O | 10 |
Structure and binding mode of 3chd_ligand_3_80.mol2(FDBF00183)
Important binding residues for 3chd_ligand_3_80.mol2(FDBF00183)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3chd | PHE251 | -0.63 | -1.12 | -1.75 | 1.27 | -0.48 |
