PDB ligand accession: NWE
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: PKSHGMOAJDEGBL-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)CC(=O)O)OCc2cccc(c2)c3ccc4c(c3)CNCC4
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Tetrahydroisoquinolines
- Subclass: None
- Class: Tetrahydroisoquinolines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6TS7 | Download | Experimental | e6ts7A1 | cradle loop barrel | LigPlot |