PDB ligand accession: 2RD
DrugBank: DB06979
PubChem:
ChEMBL:
InChI Key: IEZPFPQAXAREGM-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCSc1c(nn[nH]1)C(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organosulfur compounds
- Class: Thioethers
- Subclass: Aryl thioethers
- Class: Thioethers
- Superclass: Organosulfur compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2RDT | Download | Experimental | e2rdtA1 | TIM beta/alpha-barrel | LigPlot |