PDB ligand accession: HE1
DrugBank: DB07890
PubChem:
ChEMBL:
InChI Key: GHNIEXOPSISMGX-XVNBXDOJSA-N
SMILES: c1ccc(c(c1)O)SCCC=CP(=O)(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 |
---|---|---|---|---|---|
1C29 | Download | Experimental | e1c29A1 | TIM beta/alpha-barrel | LigPlot |
1C8V | Download | Experimental | e1c8vA1 | TIM beta/alpha-barrel | LigPlot |