| 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:BDBM437554 | medium ; target=CREB-binding protein |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | Cn1cc(-c2cnn(-c3ccccc3C(=O)NC#N)c2)c(-c2ccc(F)cc2)cc1=O | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB018487/BDB018487.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB018487/BDB018487.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB018487/BDB018487.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB018487/BDB018487.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB018487/BDB018487.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
CREB-binding protein Q92793 E3 ligase component |
BindingDB:BDBM437554 | IC50 | <500 nM | Uncertain | DOI: 10.7270/Q27S7RT7 | 1 |
|
CREB-binding protein Q92793 E3 ligase component |
BindingDB:BDBM437554 | IC50 | <500 nM | Uncertain | DOI: 10.7270/Q2Z03C91 | 1 |