| 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:BDBM670388 | medium ; target=Lysine-specific demethylase 5A |
| Source | Source ID | Source URL | Download URL | DOI / PMID |
|---|---|---|---|---|
| BindingDB | BDBM670388 | Open | - | 10.7270/Q2PV6QPC |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | Bc1cc(Cl)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB033675/BDB033675.sdf | Generated from canonical SMILES; MOL2/PDBQT repaired by Open Babel fallback |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB033675/BDB033675.mol2 | Generated from canonical SMILES; repaired after batch conversion failure |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB033675/BDB033675.pdbqt | Generated from canonical SMILES; repaired after batch conversion failure |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB033675/BDB033675.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB033675/BDB033675.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Lysine-specific demethylase 5A P29375 E3 ligase component |
BindingDB:BDBM670388 | IC50 | 14 nM | High | DOI: 10.7270/Q2PV6QPC | 1 |