PDB ligand accession: IOY
DrugBank: DB04713
PubChem: 2733279;7047041;
ChEMBL:
InChI Key: PZNQZSRPDOEBMS-MRVPVSSYSA-N
SMILES: c1cc(ccc1CC(C(=O)O)N)I
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Carboxylic acids and derivatives
- Subclass: Amino acids, peptides, and analogues
- Class: Carboxylic acids and derivatives
- Superclass: Organic acids and derivatives
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1XBU | Download | Experimental | e1xbuA1 | Phosphorylase/hydrolase-like | LigPlot |