| E3 UniProt | Gene / protein | Relation type | Ligand role | Direct | Functional | Docking | Source | Evidence |
|---|---|---|---|---|---|---|---|---|
| O14727 | APAF1;KIAA0413 Apoptotic protease-activating factor 1 |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM84007 | medium ; target=Apoptotic protease-activating factor 1 |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OCC(=O)O)c3csc(N)n3)[C@H]2SC1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB003744/BDB003744.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB003744/BDB003744.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB003744/BDB003744.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB003744/BDB003744.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB003744/BDB003744.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Apoptotic protease-activating factor 1 O14727 E3 ligase component |
BindingDB:BDBM84007 | EC50 | 9080 nM | Low | DOI: 10.7270/Q29C6VXX | 1 |
|
Apoptotic protease-activating factor 1 O14727 E3 ligase component |
BindingDB:BDBM84007 | EC50 | >100000 nM | Low | DOI: 10.7270/Q2SB447H | 1 |