Binding information for 2c1b_ligand_2_0.mol2(FDBF03834)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2c1b_ligand_2_0.mol2 | 2c1b | 0.806452 | -6.12 | Clc1ccc(cc1)CO | 9 |
Structure and binding mode of 2c1b_ligand_2_0.mol2(FDBF03834)
Important binding residues for 2c1b_ligand_2_0.mol2(FDBF03834)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2c1b | GLY50 | -0.55 | 0.14 | -0.41 | -0.06 | -0.47 |
| 2c1b | THR51 | -1.37 | 0.06 | -1.31 | 0.55 | -0.76 |
| 2c1b | GLY52 | -1.22 | 0.17 | -1.05 | 0.12 | -0.93 |
| 2c1b | GLY55 | -0.61 | -0.15 | -0.76 | 0.24 | -0.52 |
| 2c1b | VAL57 | -0.73 | 0.11 | -0.62 | -0.09 | -0.71 |
| 2c1b | LYS72 | -0.83 | -0.30 | -1.13 | 0.72 | -0.41 |
| 2c1b | LEU74 | -0.37 | 0.01 | -0.36 | 0.00 | -0.36 |
