Binding information for 2nnp_ligand_1_0.mol2(FDBF02775)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2nnp_ligand_1_0.mol2 | 2nnp | 1 | -6.52 | O=C(N)c1nc2c(cc1)cccc2 | 13 |
Structure and binding mode of 2nnp_ligand_1_0.mol2(FDBF02775)
Important binding residues for 2nnp_ligand_1_0.mol2(FDBF02775)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2nnp | ALA28 | -0.50 | -1.51 | -2.01 | 0.71 | -1.30 |
| 2nnp | ASP29 | -1.27 | 0.80 | -0.47 | -0.64 | -1.11 |
| 2nnp | GLY49 | -0.79 | -0.29 | -1.08 | 0.40 | -0.68 |
| 2nnp | PRO181 | -0.95 | -0.20 | -1.15 | 0.15 | -1.00 |
| 2nnp | VAL182 | -0.82 | 0.03 | -0.79 | -0.06 | -0.85 |
