PDB ligand accession: TIO
DrugBank: DB08626
PubChem:
ChEMBL:
InChI Key: LJJKNPQAGWVLDQ-SNVBAGLBSA-N
SMILES: c1ccc(cc1)CC(CS)C(=O)NCC(=O)O
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 |
---|---|---|---|---|---|
1ZDP | Download | Experimental | e1zdpE1 | Zincin-like | LigPlot |