PDB ligand accession: 4AZ
DrugBank: DB13244
PubChem: 65526;42552846;
ChEMBL:
InChI Key: QCTBMLYLENLHLA-UHFFFAOYSA-N
SMILES: c1cc(ccc1CN)C(=O)O
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 |
---|---|---|---|---|---|
3KGP | Download | Experimental | e3kgpA1 | cradle loop barrel | LigPlot |