PDB ligand accession: LKM
DrugBank: DB08112
PubChem:
ChEMBL:
InChI Key: IRJUSGUHNFMVCK-OAQYLSRUSA-N
SMILES: c1cc(c(cc1C#N)F)COc2ccc3cc(ccc3c2)S(=O)(=O)NC(CCC(=O)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 |
---|---|---|---|---|---|
2VTD | Download | Experimental | e2vtdA1 e2vtdA2 e2vtdA3 | Rossmann-like P-loop domains-like MurD-like peptide ligases, peptide-binding domain | LigPlot |