PDB ligand accession: E2M
DrugBank: n/a
PubChem: n/a
ChEMBL:
InChI Key: AXSOGTWJBSDWJQ-WZEPYWGYSA-N
SMILES: c1ccc(c(c1)OCC2CCC(CC2)C(=O)O)Sc3ccc(c(c3C(F)(F)F)C(F)(F)F)C=CC(=O)N4CCOCC4
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Cinnamic acids and derivatives
- Subclass: None
- Class: Cinnamic acids and derivatives
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3E2M | Download | Experimental | e3e2mA1 e3e2mB1 | HAD domain-related HAD domain-related | LigPlot |