Binding information for 1m21_ligand_frag_10.mol2(FDBF00702)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1m21_ligand_frag_10.mol2 | 1m21 | 1 | -5.23 | C1NC(=NCC1)N | 7 |
Structure and binding mode of 1m21_ligand_frag_10.mol2(FDBF00702)
Important binding residues for 1m21_ligand_frag_10.mol2(FDBF00702)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1m21 | PHE468 | -2.02 | -0.20 | -2.22 | 0.36 | -1.85 |
