| E3 UniProt | Gene / protein | Relation type | Ligand role | Direct | Functional | Docking | Source | Evidence |
|---|---|---|---|---|---|---|---|---|
| P98170 | XIAP;API3;BIRC4;IAP3 E3 ubiquitin-protein ligase XIAP |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM240881 | medium ; target=E3 ubiquitin-protein ligase XIAP |
| Source | Source ID | Source URL | Download URL | DOI / PMID |
|---|---|---|---|---|
| BindingDB | BDBM240881 | Open | - | 10.7270/Q2R78D4N |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H](NC(=O)c2ccc(C(=O)N3C[C@H](NC(=O)[C@@H](C)NC)C(=O)N(Cc4c(OC)ccc5cc(Br)ccc45)c4ccccc43)cc2)C[C@@H]1C(=O)NCc1ccccc1)C1CCCCC1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB011696/BDB011696.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB011696/BDB011696.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB011696/BDB011696.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB011696/BDB011696.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB011696/BDB011696.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
E3 ubiquitin-protein ligase XIAP P98170 E3 ligase component |
BindingDB:BDBM240881 | IC50 | 1.25 nM | Very high | DOI: 10.7270/Q2R78D4N | 1 |
|
E3 ubiquitin-protein ligase XIAP P98170 E3 ligase component |
BindingDB:BDBM240881 | IC50 | 27 nM | High | DOI: 10.7270/Q2R78D4N | 1 |