| E3 UniProt | Gene / protein | Relation type | Ligand role | Direct | Functional | Docking | Source | Evidence |
|---|---|---|---|---|---|---|---|---|
| Q03164 | KMT2A;ALL1;CXXC7;HRX;HTRX;MLL;MLL1;TRX1 Histone-lysine N-methyltransferase 2A |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM656790 | medium ; target=Menin |
| Source | Source ID | Source URL | Download URL | DOI / PMID |
|---|---|---|---|---|
| BindingDB | BDBM656790 | Open | - | 10.7270/Q2CV4P1W |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | CCS(=O)(=O)N[C@@H]1CC[C@@H](CN2CCC3(CC2)CN(c2ncnnc2Oc2ccc(F)cc2C(=O)N(CC(F)F)C(C)C)C3)OC1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB033310/BDB033310.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB033310/BDB033310.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB033310/BDB033310.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB033310/BDB033310.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB033310/BDB033310.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Menin Q03164 E3 ligase component |
BindingDB:BDBM656790 | Ki | <1 nM | Very high | DOI: 10.7270/Q2CV4P1W | 1 |