| E3 UniProt | Gene / protein | Relation type | Ligand role | Direct | Functional | Docking | Source | Evidence |
|---|---|---|---|---|---|---|---|---|
| O96028 | NSD2;KIAA1090;MMSET;TRX5;WHSC1 Histone-lysine N-methyltransferase NSD2 |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM567826 | medium ; target=Histone-lysine N-methyltransferase NSD2 |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | COC[C@@]1(N)CCCN(c2cnc(-c3cccc(Cl)c3)cc2Cn2cnc3c(N)ncnc32)C1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB027212/BDB027212.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB027212/BDB027212.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB027212/BDB027212.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB027212/BDB027212.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB027212/BDB027212.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Histone-lysine N-methyltransferase NSD2 O96028 E3 ligase component |
BindingDB:BDBM567826 | IC50 | 5.5 nM | Very high | DOI: 10.7270/Q27084N0 | 1 |