Binding information for 4fod_ligand_1_4.mol2(FDBF04078)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4fod_ligand_1_4.mol2 | 4fod | 1 | -5.88 | [N@H+]1(CC[C@H](CC1)C(O)(C)C)C | 11 |
Structure and binding mode of 4fod_ligand_1_4.mol2(FDBF04078)
Important binding residues for 4fod_ligand_1_4.mol2(FDBF04078)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4fod | GLY1202 | -0.55 | 1.36 | 0.81 | -1.49 | -0.67 |
| 4fod | PHE1207 | -1.07 | 0.43 | -0.64 | -0.20 | -0.83 |
