Binding information for 1tmn_ligand_1_5.mol2(FDBF03385)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1tmn_ligand_1_5.mol2 | 1tmn | 0.981818 | -6.22 | [C@@H]1(CNc2c1cccc2)C | 10 |
Structure and binding mode of 1tmn_ligand_1_5.mol2(FDBF03385)
Important binding residues for 1tmn_ligand_1_5.mol2(FDBF03385)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1tmn | ASN111 | -0.36 | -2.25 | -2.61 | 1.51 | -1.10 |
| 1tmn | PHE130 | -0.93 | -0.29 | -1.22 | 0.56 | -0.66 |
