| E3 UniProt | Gene / protein | Relation type | Ligand role | Direct | Functional | Docking | Source | Evidence |
|---|---|---|---|---|---|---|---|---|
| Q8NHM5 | KDM2B;CXXC2;FBL10;FBXL10;JHDM1B;NDY1;PCCX2 Lysine-specific demethylase 2B |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM383634 | medium ; target=Lysine-specific demethylase 2B |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | CCC[C@H]1CCN(C2CCC2)C[C@H]1C(=O)c1ccc2cc(OC)ccc2c1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB017232/BDB017232.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB017232/BDB017232.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB017232/BDB017232.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB017232/BDB017232.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB017232/BDB017232.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Lysine-specific demethylase 2B Q8NHM5 E3 ligase component |
BindingDB:BDBM383634 | IC50 | 5.48 nM | Very high | DOI: 10.7270/Q2VD71SW | 1 |