| 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:BDBM423398 | medium ; target=WD repeat-containing protein 5 |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | COc1cc(C(=O)N[C@@H]2CCN(C(C)=O)c3ccc(-c4cn5c(n4)CCC5)cc32)ccc1C | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB017838/BDB017838.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB017838/BDB017838.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB017838/BDB017838.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB017838/BDB017838.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB017838/BDB017838.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
WD repeat-containing protein 5 P61964 E3 ligase component |
BindingDB:BDBM423398 | Ki | 22 nM | High | DOI: 10.7270/Q2319Z71 | 1 |