Binding information for 1d4h_ligand_3_359.mol2(FDBF00184)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1d4h_ligand_3_359.mol2 | 1d4h | 1 | -6.99 | c1(ccccc1)CNC(=O)C | 11 |
Structure and binding mode of 1d4h_ligand_3_359.mol2(FDBF00184)
Important binding residues for 1d4h_ligand_3_359.mol2(FDBF00184)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1d4h | GLY27 | -0.82 | -1.70 | -2.52 | 1.68 | -0.84 |
| 1d4h | ALA28 | -1.49 | -0.57 | -2.06 | 0.09 | -1.97 |
| 1d4h | ASP29 | -1.01 | -2.03 | -3.04 | 2.50 | -0.54 |
| 1d4h | VAL32 | -0.52 | -0.06 | -0.58 | -0.01 | -0.59 |
| 1d4h | ILE47 | -1.21 | 0.04 | -1.17 | -0.26 | -1.44 |
| 1d4h | GLY49 | -0.66 | -1.54 | -2.2 | 1.20 | -1.01 |
| 1d4h | ILE50 | -0.33 | -0.18 | -0.51 | 0.11 | -0.40 |
| 1d4h | ILE84 | -0.49 | 0.00 | -0.49 | -0.04 | -0.53 |
| 1d4h | ILE150 | -1.26 | -0.75 | -2.01 | 0.62 | -1.40 |
