PDB ligand accession: HCI
DrugBank: DB02024
PubChem:
ChEMBL:
InChI Key: XMIIGOLPHOKFCH-UHFFFAOYSA-N
SMILES: c1ccc(cc1)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 |
---|---|---|---|---|---|
3AYI | Download | Experimental | e3ayiA1 e3ayiA2 e3ayiB1 e3ayiB2 | FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |