PDB ligand accession: PHB
DrugBank: DB04242
PubChem: 135;3702506;
ChEMBL:
InChI Key: FJKROLUGYXJWQN-UHFFFAOYSA-N
SMILES: c1cc(ccc1C(=O)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 |
---|---|---|---|---|---|
2BUR | Download | Experimental | e2burA1 e2burB1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |
2BUW | Download | Experimental | e2buwA1 e2buwB1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |