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 |
---|---|---|---|---|---|
6KCL | Download | Experimental | e6kclA1 e6kclB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
6KCK | Download | Experimental | e6kckA1 e6kckB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
6KCM | Download | Experimental | e6kcmA1 e6kcmB2 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |