| E3 UniProt | Gene / protein | Relation type | Ligand role | Direct | Functional | Docking | Source | Evidence |
|---|---|---|---|---|---|---|---|---|
| P51948 | MNAT1;CAP35;MAT1;RNF66 CDK-activating kinase assembly factor MAT1 |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM676341 | medium ; target=Cyclin-H |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | Cn1cc(S(=O)(=O)N2CCC(Nc3ncc(C#N)c(OCC4(C)CCCC4)n3)CC2)cn1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB033733/BDB033733.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB033733/BDB033733.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB033733/BDB033733.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB033733/BDB033733.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB033733/BDB033733.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Cyclin-H P51948 E3 ligase component |
BindingDB:BDBM676341 | IC50 | 550 nM | Moderate | DOI: 10.7270/Q2GM8CMT | 1 |