Binding information for 2arm_ligand_1_0.mol2(FDBF04402)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2arm_ligand_1_0.mol2 | 2arm | 0.708333 | -6.16 | C[N@@H+]1[C@@]23CC[C@@]12C[C@H](C3)OC(=O)C | 13 |
Structure and binding mode of 2arm_ligand_1_0.mol2(FDBF04402)
Important binding residues for 2arm_ligand_1_0.mol2(FDBF04402)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 2arm | TRP31 | -0.53 | -0.19 | -0.72 | 0.39 | -0.32 |
