| E3 UniProt | Gene / protein | Relation type | Ligand role | Direct | Functional | Docking | Source | Evidence |
|---|---|---|---|---|---|---|---|---|
| P51617 | IRAK1;IRAK Interleukin-1 receptor-associated kinase 1 |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM286247 | medium ; target=Interleukin-1 receptor-associated kinase 1 |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | CN(C)C(=O)Cc1ccc2[nH]c(NC(=O)c3cccc(Cn4nc(-c5cccnc5)ccc4=O)c3)nc2c1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB012993/BDB012993.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB012993/BDB012993.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB012993/BDB012993.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB012993/BDB012993.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB012993/BDB012993.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Interleukin-1 receptor-associated kinase 1 P51617 E3 ligase component |
BindingDB:BDBM286247 | IC50 | <100 nM | High | DOI: 10.7270/Q29W0HJR | 1 |