PDB ligand accession: MD3
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: TUTBXYUXRIILSH-ZDUSSCGKSA-N
SMILES: c1ccc2cc(ccc2c1)CSCC(C(=O)O)NC(=O)C(=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 |
---|---|---|---|---|---|
3T4V | Download | Experimental | e3t4vA1 | jelly-roll | LigPlot |