Binding information for 4ih6_ligand_frag_0.mol2(FDBF00537)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ih6_ligand_frag_0.mol2 | 4ih6 | 1 | -5.48 | N1C(=O)N=CC1=O | 7 |
Structure and binding mode of 4ih6_ligand_frag_0.mol2(FDBF00537)
Important binding residues for 4ih6_ligand_frag_0.mol2(FDBF00537)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4ih6 | MET414 | -0.72 | 0.29 | -0.43 | -0.29 | -0.72 |
| 4ih6 | ILE447 | -0.88 | -1.34 | -2.22 | 0.76 | -1.45 |
| 4ih6 | TYR448 | 0.04 | -2.30 | -2.26 | 1.24 | -1.03 |
