PDB ligand accession: LK4
DrugBank: DB08108
PubChem:
ChEMBL:
InChI Key: PUHRQSFXADUGJW-OAQYLSRUSA-N
SMILES: c1cc(ccc1COc2ccc3cc(ccc3c2)S(=O)(=O)NC(CCC(=O)O)C(=O)O)C#N
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 |
---|---|---|---|---|---|
2UUP | Download | Experimental | e2uupA1 e2uupA2 e2uupA3 | Rossmann-like P-loop domains-like MurD-like peptide ligases, peptide-binding domain | LigPlot |