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 |
---|---|---|---|---|---|
1Q4S | Download | Experimental | e1q4sB1 e1q4sA1 | Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like | LigPlot |
3R36 | Download | Experimental | e3r36B2 e3r36A2 | Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like | LigPlot |
3R3A | Download | Experimental | e3r3aB2 e3r3aA2 | Thioesterase/thiol ester dehydrase-isomerase-like Thioesterase/thiol ester dehydrase-isomerase-like | LigPlot |