PDB ligand accession: PAB
DrugBank: DB02362
PubChem: 978;7057990;
ChEMBL:
InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N
SMILES: c1cc(ccc1C(=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 |
---|---|---|---|---|---|
7S2K | Download | Experimental | e7s2kB1 | TIM beta/alpha-barrel | LigPlot |