| E3 UniProt | Gene / protein | Relation type | Ligand role | Direct | Functional | Docking | Source | Evidence |
|---|---|---|---|---|---|---|---|---|
| P00748 | F12 Coagulation factor XII |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM652485 | medium ; target=Coagulation factor XII |
| Source | Source ID | Source URL | Download URL | DOI / PMID |
|---|---|---|---|---|
| BindingDB | BDBM652485 | Open | - | 10.7270/Q2NG4VVD |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | CN1C[C@@H]2[C@H](COc3ccc(CNc4ccc5c(N)nccc5c4)cn3)[C@@H]2C1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB032257/BDB032257.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB032257/BDB032257.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB032257/BDB032257.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB032257/BDB032257.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB032257/BDB032257.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Coagulation factor XII P00748 E3 ligase component |
BindingDB:BDBM652485 | IC50 | 650 nM | Moderate | DOI: 10.7270/Q2NG4VVD | 1 |