| 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:BDBM347923 | medium ; target=Interleukin-1 receptor-associated kinase 1 |
| Source | Source ID | Source URL | Download URL | DOI / PMID |
|---|---|---|---|---|
| BindingDB | BDBM347923 | Open | - | 10.7270/Q29S1T4F |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | Cc1nnc(-c2cnc(-c3cccc(-c4cnn(C)c4)c3)nc2N[C@H]2CC[C@@H](NS(C)(=O)=O)CC2)s1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB015967/BDB015967.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB015967/BDB015967.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB015967/BDB015967.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB015967/BDB015967.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB015967/BDB015967.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Interleukin-1 receptor-associated kinase 1 P51617 E3 ligase component |
BindingDB:BDBM347923 | IC50 | 550 nM | Moderate | DOI: 10.7270/Q29S1T4F | 1 |