Binding information for 2ph6_ligand_2_22.mol2(FDBF07600)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ph6_ligand_2_22.mol2 | 2ph6 | 0.566038 | -6.57 | Cc1cccc(c1)N(S(=O)(=O)C)C | 13 |
Structure and binding mode of 2ph6_ligand_2_22.mol2(FDBF07600)
Important binding residues for 2ph6_ligand_2_22.mol2(FDBF07600)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ph6 | THR72 | -0.88 | 0.12 | -0.76 | 0.24 | -0.52 |
| 2ph6 | GLN73 | -2.50 | 0.20 | -2.3 | 1.01 | -1.29 |
| 2ph6 | THR231 | -2.22 | -1.40 | -3.62 | 0.67 | -2.95 |
| 2ph6 | THR232 | -1.84 | -1.12 | -2.96 | 1.13 | -1.83 |
| 2ph6 | ASN233 | -1.55 | -2.97 | -4.52 | 1.52 | -3.00 |
| 2ph6 | ARG235 | -1.98 | -3.12 | -5.1 | 2.43 | -2.66 |
