| E3 UniProt | Gene / protein | Relation type | Ligand role | Direct | Functional | Docking | Source | Evidence |
|---|---|---|---|---|---|---|---|---|
| Q92793 | CREBBP;CBP CREB-binding protein |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM264456 | medium ; target=CREB-binding protein |
| Source | Source ID | Source URL | Download URL | DOI / PMID |
|---|---|---|---|---|
| BindingDB | BDBM264456 | Open | - | 10.7270/Q27083FW |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | COc1ncc(NC2=C(C(C)=N)C(=O)N(c3cc(C)c(=O)n(C)c3)C2c2ccc(Cl)cc2)cn1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB012443/BDB012443.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB012443/BDB012443.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB012443/BDB012443.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB012443/BDB012443.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB012443/BDB012443.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
CREB-binding protein Q92793 E3 ligase component |
BindingDB:BDBM264456 | IC50 | >11100 nM | Low | DOI: 10.7270/Q27083FW | 1 |