| 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:BDBM725777 | medium ; target=Histone-lysine N-methyltransferase 2A |
| Source | Source ID | Source URL | Download URL | DOI / PMID |
|---|---|---|---|---|
| BindingDB | BDBM725777 | Open | - | 10.7270/Q2D79GZH |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | CC(C)c1ncncc1-c1cc(F)ccc1Oc1nncnc1N1CC2(CCN(C[C@H]3CC[C@@]4(CCC(=O)C4)CC3)CC2)C1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB036171/BDB036171.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB036171/BDB036171.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB036171/BDB036171.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB036171/BDB036171.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB036171/BDB036171.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Histone-lysine N-methyltransferase 2A Q03164 E3 ligase component |
BindingDB:BDBM725777 | IC50 | 33 nM | High | DOI: 10.7270/Q2D79GZH | 1 |