| 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:BDBM676319 | medium ; target=Cyclin-H |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | CC1(O)CC(F)(F)CCC1Oc1nc(NC2CCN(S(C)(=O)=O)CC2)ncc1C#N | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB033718/BDB033718.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB033718/BDB033718.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB033718/BDB033718.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB033718/BDB033718.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB033718/BDB033718.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Cyclin-H P51948 E3 ligase component |
BindingDB:BDBM676319 | IC50 | 55 nM | High | DOI: 10.7270/Q2GM8CMT | 1 |
|
Cyclin-H P51948 E3 ligase component |
BindingDB:BDBM676319 | IC50 | >1000 nM | Moderate | DOI: 10.7270/Q2GM8CMT | 1 |