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 |
---|---|---|---|---|---|
3ZYB | Download | Experimental | e3zybA1 e3zybF1 e3zybB1 e3zybG1 e3zybC1 e3zybB1 e3zybD1 e3zybE1 e3zybF1 e3zybH1 e3zybG1 e3zybH1 | jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll | LigPlot |
4LKD | Download | Experimental | e4lkdA1 e4lkdB1 e4lkdC1 e4lkdD1 e4lkdE1 e4lkdF1 e4lkdG1 e4lkdH1 | jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll jelly-roll | LigPlot |
4LKE | Download | Experimental | e4lkeA1 e4lkeD1 e4lkeB1 e4lkeC1 | jelly-roll jelly-roll jelly-roll jelly-roll | LigPlot |
4LKF | Download | Experimental | e4lkfA1 e4lkfB1 | jelly-roll jelly-roll | LigPlot |