PDB ligand accession: 2W9
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: TXMIQTDPWRFHFQ-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)c2ccc(o2)[N+](=O)[O-])CCC(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Phenylpropanoic acids
- Subclass: None
- Class: Phenylpropanoic acids
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4PRR | Download | Experimental | e4prrA1 | TIM beta/alpha-barrel | LigPlot |