Binding information for 3c4c_ligand_2_1.mol2(FDBF06425)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3c4c_ligand_2_1.mol2 | 3c4c | 0.59375 | -6.86 | CS(=O)(=O)Nc1c(F)cc(cc1)F | 13 |
Structure and binding mode of 3c4c_ligand_2_1.mol2(FDBF06425)
Important binding residues for 3c4c_ligand_2_1.mol2(FDBF06425)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 3c4c | VAL471 | -0.64 | -0.06 | -0.7 | -0.02 | -0.72 |
| 3c4c | ALA481 | -0.44 | -0.41 | -0.85 | 0.28 | -0.57 |
| 3c4c | LEU505 | -0.73 | -0.11 | -0.84 | 0.11 | -0.74 |
| 3c4c | LEU514 | -1.31 | -0.08 | -1.39 | 0.24 | -1.15 |
| 3c4c | ILE527 | -1.27 | 0.09 | -1.18 | 0.02 | -1.15 |
| 3c4c | VAL528 | -0.21 | -0.36 | -0.57 | 0.25 | -0.32 |
| 3c4c | THR529 | -1.16 | 0.10 | -1.06 | 0.25 | -0.82 |
