PDB ligand accession: BE2
DrugBank: DB04166
PubChem: 227;3734162;
ChEMBL:
InChI Key: RWZYAGGXGHYGMB-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)C(=O)O)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoic acids and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3H78 | Download | Experimental | e3h78A3 e3h78A2 e3h78B3 e3h78B2 | Thiolase-like Thiolase-like Thiolase-like Thiolase-like | LigPlot |