Binding information for 184l_ligand_1_1.mol2(FDBF00012)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 184l_ligand_1_1.mol2 | 184l | 1 | -6.37 | C(C)(C)C | 4 |
Structure and binding mode of 184l_ligand_1_1.mol2(FDBF00012)
Important binding residues for 184l_ligand_1_1.mol2(FDBF00012)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 184l | LEU84 | -0.30 | -0.00 | -0.3 | -0.01 | -0.31 |
| 184l | ALA99 | -0.42 | 0.00 | -0.42 | 0.02 | -0.40 |
| 184l | MET102 | -0.88 | 0.01 | -0.87 | 0.15 | -0.71 |
| 184l | VAL111 | -0.53 | -0.02 | -0.55 | 0.15 | -0.40 |
| 184l | PHE114 | -0.88 | 0.01 | -0.87 | 0.13 | -0.73 |
| 184l | LEU121 | -0.55 | 0.01 | -0.54 | 0.01 | -0.53 |
