| E3 UniProt | Gene / protein | Relation type | Ligand role | Direct | Functional | Docking | Source | Evidence |
|---|---|---|---|---|---|---|---|---|
| Q92831 | KAT2B;PCAF Histone acetyltransferase KAT2B |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM748433 | medium ; target=Histone acetyltransferase KAT2B |
| Source | Source ID | Source URL | Download URL | DOI / PMID |
|---|---|---|---|---|
| BindingDB | BDBM748433 | Open | - | 10.7270/Q22N56WT |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | CC(C)(C(=O)NS(C)(=O)=O)c1ccc(O[C@@H]2CC[C@@H](NC(=O)[C@]3(F)CNC4(CCC4)C3)C2)c(-c2cccc(F)c2C2CC2)c1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB038818/BDB038818.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB038818/BDB038818.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB038818/BDB038818.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB038818/BDB038818.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB038818/BDB038818.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Histone acetyltransferase KAT2B Q92831 E3 ligase component |
BindingDB:BDBM748433 | Ki | 5.62 nM | Very high | DOI: 10.7270/Q22N56WT | 1 |