Binding information for 1tmn_ligand_frag_10.mol2(FDBF03385)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1tmn_ligand_frag_10.mol2 | 1tmn | 1 | -5.96 | C1CNc2c1cccc2 | 9 |
Structure and binding mode of 1tmn_ligand_frag_10.mol2(FDBF03385)
Important binding residues for 1tmn_ligand_frag_10.mol2(FDBF03385)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 1tmn | ASN111 | -0.35 | -2.25 | -2.6 | 1.49 | -1.12 |
| 1tmn | PHE130 | -0.89 | -0.31 | -1.2 | 0.57 | -0.64 |
| 1tmn | LEU202 | -0.73 | -0.03 | -0.76 | 0.28 | -0.47 |
