Binding information for 4lch_ligand_1_5.mol2(FDBF07246)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lch_ligand_1_5.mol2 | 4lch | 0.563636 | -6.59 | CC(O)(C)c1ccc(cc1)O | 11 |
Structure and binding mode of 4lch_ligand_1_5.mol2(FDBF07246)
Important binding residues for 4lch_ligand_1_5.mol2(FDBF07246)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4lch | MET62 | -1.09 | 0.30 | -0.79 | 0.27 | -0.53 |
| 4lch | THR190 | -0.78 | -0.05 | -0.83 | -0.26 | -1.09 |
| 4lch | PHE191 | -1.65 | -0.80 | -2.45 | 2.13 | -0.32 |
| 4lch | PHE193 | -0.66 | 0.28 | -0.38 | -0.05 | -0.43 |
| 4lch | ASP241 | -0.58 | 2.86 | 2.28 | -3.29 | -1.01 |
