Binding information for 1m51_ligand_2_27.mol2(FDBF00497)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1m51_ligand_2_27.mol2 | 1m51 | 0.809524 | -6.32 | Cc1ccc(cc1)NC(=O)C | 11 |
Structure and binding mode of 1m51_ligand_2_27.mol2(FDBF00497)
Important binding residues for 1m51_ligand_2_27.mol2(FDBF00497)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1m51 | PHE517 | -0.58 | 0.06 | -0.52 | 0.07 | -0.45 |
| 1m51 | PHE525 | -1.96 | 0.15 | -1.81 | 0.14 | -1.67 |
| 1m51 | PHE530 | -1.01 | -0.28 | -1.29 | 0.31 | -0.98 |
