PDB ligand accession: DHB
DrugBank: DB03946
PubChem:
ChEMBL:
InChI Key: YQUVCSBJEUQKSH-UHFFFAOYSA-N
SMILES: c1cc(c(cc1C(=O)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 |
---|---|---|---|---|---|
5X1M | Download | Experimental | e5x1mA1 e5x1mA2 e5x1mB1 e5x1mB2 e5x1mB3 e5x1mC1 e5x1mC2 e5x1mC3 | cradle loop barrel Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits cradle loop barrel Alpha-beta plaits cradle loop barrel Alpha-beta plaits | LigPlot |
5X1N | Download | Experimental | e5x1nA1 e5x1nA2 e5x1nA3 e5x1nB1 e5x1nB2 e5x1nB3 | Alpha-beta plaits Alpha-beta plaits cradle loop barrel Alpha-beta plaits cradle loop barrel Alpha-beta plaits | LigPlot |