Binding information for 1m21_ligand_1_10.mol2(FDBF00702)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1m21_ligand_1_10.mol2 | 1m21 | 0.914894 | -5.42 | C[C@H]1NC(=NCC1)N | 8 |
Structure and binding mode of 1m21_ligand_1_10.mol2(FDBF00702)
Important binding residues for 1m21_ligand_1_10.mol2(FDBF00702)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1m21 | PHE468 | -2.10 | -0.19 | -2.29 | 0.37 | -1.92 |
