PDB ligand accession: B82
DrugBank: DB07429
PubChem:
ChEMBL:
InChI Key: VNOMZKMKBNFCMC-UHFFFAOYSA-N
SMILES: CCN(CC)S(=O)(=O)c1cc(ccc1Br)C(=O)Nc2ccccc2C(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Anilides
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3IL5 | Download | Experimental | e3il5A1 e3il5A2 e3il5B1 e3il5B2 e3il5C1 e3il5C2 e3il5D1 e3il5D2 | Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like | LigPlot |