| 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:BDBM32022 | medium ; target=Apoptotic protease-activating factor 1 |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB001546/BDB001546.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB001546/BDB001546.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB001546/BDB001546.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB001546/BDB001546.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB001546/BDB001546.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Apoptotic protease-activating factor 1 O14727 E3 ligase component |
BindingDB:BDBM32022 | IC50 | 21200 nM | Low | DOI: 10.7270/Q2JS9NZB | 1 |
|
Apoptotic protease-activating factor 1 O14727 E3 ligase component |
BindingDB:BDBM32022 | IC50 | >100000 nM | Low | DOI: 10.7270/Q2F18X8S | 1 |