| 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:BDBM271347 | medium ; target=Interleukin-1 receptor-associated kinase 1 |
| Source | Source ID | Source URL | Download URL | DOI / PMID |
|---|---|---|---|---|
| BindingDB | BDBM271347 | Open | - | 10.7270/Q2NV9M8K |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | CN(C)C(=O)Cc1ccc2c(c1)nc1n2Cc2cccc(c2)-c2ccc(=O)n(n2)Cc2cccc(c2)C(=O)N1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB012453/BDB012453.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB012453/BDB012453.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB012453/BDB012453.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB012453/BDB012453.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB012453/BDB012453.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Interleukin-1 receptor-associated kinase 1 P51617 E3 ligase component |
BindingDB:BDBM271347 | IC50 | <100 nM | High | DOI: 10.7270/Q2NV9M8K | 1 |