PDB ligand accession: 31S
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: KXEKGLNMBLODQT-PGMHBOJBSA-N
SMILES: c1ccc(cc1)c2ccc(cc2)C(=CC(=O)O)CCc3ccc(cc3)Cl
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 |
---|---|---|---|---|---|
4CT1 | Download | Experimental | e4ct1A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |