Binding information for 2c1b_ligand_1_3.mol2(FDBF00855)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2c1b_ligand_1_3.mol2 | 2c1b | 1 | -5.94 | C1C[NH2+][C@@H](C1)C | 6 |
Structure and binding mode of 2c1b_ligand_1_3.mol2(FDBF00855)
Important binding residues for 2c1b_ligand_1_3.mol2(FDBF00855)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2c1b | GLU127 | 0.33 | -47.05 | -46.72 | 43.91 | -2.82 |
