| 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:BDBM281086 | medium ; target=Lysine-specific demethylase 5A |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | CC(C)Oc1cc(C(=O)N2CCC(NC(=O)C3CC3)C2)[nH]n1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB012772/BDB012772.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB012772/BDB012772.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB012772/BDB012772.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB012772/BDB012772.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB012772/BDB012772.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Lysine-specific demethylase 5A P29375 E3 ligase component |
BindingDB:BDBM281086 | IC50 | 8.4 nM | Very high | DOI: 10.7270/Q2PC34F7 | 1 |