| 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:BDBM525637 | medium ; target=WD repeat-containing protein 5 |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | COc1cc(C(F)(F)F)c(C(=O)Nc2cc(-c3cc(CN4CCC(F)CC4)ccc3F)ccc2N2CCN(C)CC2)cn1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB022539/BDB022539.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB022539/BDB022539.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB022539/BDB022539.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB022539/BDB022539.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB022539/BDB022539.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
WD repeat-containing protein 5 P61964 E3 ligase component |
BindingDB:BDBM525637 | Kd | >200 nM | Uncertain | DOI: 10.7270/Q2C53Q0K | 1 |