Binding information for 1ct8_ligand_1_10.mol2(FDBF00844)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1ct8_ligand_1_10.mol2 | 1ct8 | 1 | -5.06 | NC(=O)C(F)(F)F | 7 |
Structure and binding mode of 1ct8_ligand_1_10.mol2(FDBF00844)
Important binding residues for 1ct8_ligand_1_10.mol2(FDBF00844)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1ct8 | SER54 | -0.81 | -1.39 | -2.2 | 1.74 | -0.46 |
