Binding information for 2ot1_ligand_1_0.mol2(FDBF01380)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2ot1_ligand_1_0.mol2 | 2ot1 | 1 | -6.98 | c1ccc2cc(ccc2c1)C(=O)N | 13 |
Structure and binding mode of 2ot1_ligand_1_0.mol2(FDBF01380)
Important binding residues for 2ot1_ligand_1_0.mol2(FDBF01380)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2ot1 | ARG42 | -3.35 | -0.19 | -3.54 | 0.96 | -2.57 |
| 2ot1 | ARG303 | -3.08 | -2.48 | -5.56 | 2.69 | -2.86 |
| 2ot1 | ALA307 | -0.62 | -0.28 | -0.9 | 0.40 | -0.49 |
| 2ot1 | LEU310 | -0.85 | 0.11 | -0.74 | -0.14 | -0.87 |
