PDB ligand accession: TKJ
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: GHRPDEFVTTUXKB-LJAQVGFWSA-N
SMILES: c1ccc(cc1)COc2ccc(cc2)C3(CCN(C3)C(=O)C4CCS(=O)(=O)CC4)S(=O)(=O)c5ccc(cc5)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyrrolidines
- Subclass: Phenylpyrrolidines
- Class: Pyrrolidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6W9H | Download | Experimental | e6w9hA1 | Nuclear receptor ligand-binding domain | LigPlot |