PDB ligand accession: 6FS
DrugBank: DB12146
PubChem:
ChEMBL:
InChI Key: OWBFCJROIKNMGD-BQYQJAHWSA-N
SMILES: COc1ccc(cc1NCC(=O)O)CS(=O)(=O)C=Cc2c(cc(cc2OC)OC)OC
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Carboxylic acids and derivatives
- Subclass: Amino acids, peptides, and analogues
- Class: Carboxylic acids and derivatives
- Superclass: Organic acids and derivatives
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5J2R | Download | Experimental | e5j2rA1 | beta-Grasp | LigPlot |
5J18 | Download | Experimental | e5j18A1 | beta-Grasp | LigPlot |