| E3 UniProt | Gene / protein | Relation type | Ligand role | Direct | Functional | Docking | Source | Evidence |
|---|---|---|---|---|---|---|---|---|
| P29375 | KDM5A;JARID1A;RBBP2;RBP2 Lysine-specific demethylase 5A |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM281222 | medium ; target=Lysine-specific demethylase 5A |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | CC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccn(C(C)C)n3)C2)[nH]n1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB012906/BDB012906.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB012906/BDB012906.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB012906/BDB012906.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB012906/BDB012906.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB012906/BDB012906.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Lysine-specific demethylase 5A P29375 E3 ligase component |
BindingDB:BDBM281222 | IC50 | 5.1 nM | Very high | DOI: 10.7270/Q2PC34F7 | 1 |