PDB ligand accession: W23
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: HADUTEDIBIZUBV-UHFFFAOYSA-N
SMILES: c1cc2c(cc1O)CCN(C2)S(=O)(=O)C(F)(F)F
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 |
---|---|---|---|---|---|
3OMQ | Download | Experimental | e3omqA1 e3omqB1 | Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain | LigPlot |