PDB ligand accession: 3N1
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: QNJIHQOPIPJYLU-UHFFFAOYSA-N
SMILES: Cc1c2cc(ccc2sc1CC(=O)O)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzothiophenes
- Subclass: 1-benzothiophenes
- Class: Benzothiophenes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3N1V | Download | Experimental | e3n1vF1 | Terpenoid synthases | LigPlot |