Binding information for 4mc6_ligand_2_24.mol2(FDBF00515)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mc6_ligand_2_24.mol2 | 4mc6 | 0.833333 | -6.60 | C(C)(C)(C)NC(=O)NC | 9 |
Structure and binding mode of 4mc6_ligand_2_24.mol2(FDBF00515)
Important binding residues for 4mc6_ligand_2_24.mol2(FDBF00515)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4mc6 | GLY27 | -0.66 | -1.27 | -1.93 | 1.26 | -0.67 |
| 4mc6 | ALA28 | -1.45 | 0.73 | -0.72 | 0.05 | -0.67 |
| 4mc6 | VAL32 | -0.48 | 0.03 | -0.45 | -0.03 | -0.48 |
| 4mc6 | ILE47 | -0.84 | 0.23 | -0.61 | -0.16 | -0.77 |
| 4mc6 | GLY49 | -0.73 | -1.13 | -1.86 | 1.00 | -0.85 |
| 4mc6 | ILE84 | -0.60 | -0.06 | -0.66 | 0.05 | -0.61 |
| 4mc6 | ILE50 | -1.58 | -0.43 | -2.01 | 0.31 | -1.69 |
