| E3 UniProt | Gene / protein | Relation type | Ligand role | Direct | Functional | Docking | Source | Evidence |
|---|---|---|---|---|---|---|---|---|
| P12830 | CDH1;CDHE;UVO Cadherin-1 |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM32102 | medium ; target=Catenin beta-1 |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | Cn1ncnc2c(=O)n(C)c(=O)nc1-2 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB001555/BDB001555.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB001555/BDB001555.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB001555/BDB001555.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB001555/BDB001555.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB001555/BDB001555.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Catenin beta-1 P12830 E3 ligase component |
BindingDB:BDBM32102 | Ki | 19940 nM | Low | DOI: 10.7270/Q2WW7GGC | 1 |
|
Catenin beta-1 P12830 E3 ligase component |
BindingDB:BDBM32102 | Ki | 13300 nM | Low | DOI: 10.7270/Q2WW7GGC | 1 |