Binding information for 4mm8_ligand_3_16.mol2(FDBF07242)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mm8_ligand_3_16.mol2 | 4mm8 | 0.821429 | -6.75 | c1(ccccc1)[C@@H](C)O | 9 |
Structure and binding mode of 4mm8_ligand_3_16.mol2(FDBF07242)
Important binding residues for 4mm8_ligand_3_16.mol2(FDBF07242)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mm8 | VAL104 | -0.71 | -0.19 | -0.9 | -0.02 | -0.91 |
| 4mm8 | PHE253 | -1.05 | -0.47 | -1.52 | 1.03 | -0.49 |
| 4mm8 | PHE259 | -0.80 | -0.30 | -1.1 | 0.71 | -0.40 |
