PDB ligand accession: VNL
DrugBank: DB02130
PubChem: 23199;54675858;
ChEMBL: n/a
InChI Key: WKOLLVMJNQIZCI-UHFFFAOYSA-M
SMILES: COc1cc(ccc1O)C(=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 |
---|---|---|---|---|---|
5X1J | Download | Experimental | e5x1jA1 e5x1jA2 e5x1jA3 e5x1jB1 e5x1jB2 e5x1jB3 e5x1jC1 e5x1jC2 e5x1jC3 | Alpha-beta plaits Alpha-beta plaits cradle loop barrel Alpha-beta plaits Alpha-beta plaits cradle loop barrel Alpha-beta plaits cradle loop barrel Alpha-beta plaits | LigPlot |