| E3 UniProt | Gene / protein | Relation type | Ligand role | Direct | Functional | Docking | Source | Evidence |
|---|---|---|---|---|---|---|---|---|
| P61964 | WDR5;BIG3 WD repeat-containing protein 5 |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM473207 | medium ; target=WD repeat-containing protein 5 |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | COc1cc(OC)cc(C(NC(=O)c2cc(Cn3ccn(C)c3=N)cc(-c3ncnc4c3CCCC4)c2)C2CC2)c1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB019840/BDB019840.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB019840/BDB019840.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB019840/BDB019840.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB019840/BDB019840.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB019840/BDB019840.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
WD repeat-containing protein 5 P61964 E3 ligase component |
BindingDB:BDBM473207 | Ki | 27 nM | High | DOI: 10.7270/Q21R6TKB | 1 |