Binding information for 3chd_ligand_1_6.mol2(FDBF00181)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3chd_ligand_1_6.mol2 | 3chd | 1 | -5.02 | C(=O)N(C)CC(=O)O | 8 |
Structure and binding mode of 3chd_ligand_1_6.mol2(FDBF00181)
Important binding residues for 3chd_ligand_1_6.mol2(FDBF00181)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3chd | TRP137 | -1.08 | -1.73 | -2.81 | 1.86 | -0.95 |
