PDB ligand accession: TPV
DrugBank: DB00932
PubChem:
ChEMBL:
InChI Key: SUJUHGSWHZTSEU-FYBSXPHGSA-N
SMILES: CCCC1(CC(=C(C(=O)O1)C(CC)c2cccc(c2)NS(=O)(=O)c3ccc(cn3)C(F)(F)F)O)CCc4ccccc4
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Diarylheptanoids
- Subclass: Linear diarylheptanoids
- Class: Diarylheptanoids
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6DIF | Download | Experimental | e6difA1 e6difB1 | cradle loop barrel cradle loop barrel | LigPlot |
6DIL | Download | Experimental | e6dilA1 e6dilB1 | cradle loop barrel cradle loop barrel | LigPlot |