| E3 UniProt | Gene / protein | Relation type | Ligand role | Direct | Functional | Docking | Source | Evidence |
|---|---|---|---|---|---|---|---|---|
| Q09472 | EP300;P300 Histone acetyltransferase p300 |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM547567 | medium ; target=Histone acetyltransferase p300 |
| Q92793 | CREBBP;CBP CREB-binding protein |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM547567 | medium ; target=CREB-binding protein |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | COC(=O)[C@@H]1CCC[C@@H](n2c(Cc3ccccc3)nc3c4c(ccc32)N(C(=O)OC)[C@@H](C)CC4)C1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB025204/BDB025204.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB025204/BDB025204.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB025204/BDB025204.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB025204/BDB025204.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB025204/BDB025204.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
CREB-binding protein Q92793 E3 ligase component |
BindingDB:BDBM547567 | IC50 | 55 nM | High | DOI: 10.7270/Q2MG7SQM | 1 |
|
CREB-binding protein Q92793 E3 ligase component |
BindingDB:BDBM547567 | IC50 | <10 nM | Very high | DOI: 10.7270/Q26W9G7S | 1 |
|
Histone acetyltransferase p300 Q09472 E3 ligase component |
BindingDB:BDBM547567 | IC50 | <10 nM | Very high | DOI: 10.7270/Q26W9G7S | 1 |