PDB ligand accession: YPN
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: KLOJLJIHCJJDCT-UHFFFAOYSA-N
SMILES: c1cc(ncc1Cl)SCCO
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 |
---|---|---|---|---|---|
5AK6 | Download | Experimental | e5ak6A2 | alpha/beta-Hydrolases | LigPlot |