| E3 UniProt | Gene / protein | Relation type | Ligand role | Direct | Functional | Docking | Source | Evidence |
|---|---|---|---|---|---|---|---|---|
| Q9BQA1 | WDR77;MEP50;WD45;HKMT1069;Nbla10071 Methylosome protein WDR77 |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM542488 | medium ; target=Protein arginine N-methyltransferase 5 |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | CN1CCN(c2cc(C(=O)NCC(O)CN3CCc4[nH]c5ccccc5c4C3)cc(NC3CCC3)n2)CC1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB024452/BDB024452.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB024452/BDB024452.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB024452/BDB024452.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB024452/BDB024452.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB024452/BDB024452.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Protein arginine N-methyltransferase 5 Q9BQA1 E3 ligase component |
BindingDB:BDBM542488 | IC50 | 771 nM | Moderate | DOI: 10.7270/Q2ZW1Q44 | 1 |