PDB ligand accession: GSK
DrugBank: DB07847
PubChem:
ChEMBL:
InChI Key: ICLOZQFWTRAYPX-LIRRHRJNSA-N
SMILES: CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl
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 |
---|---|---|---|---|---|
2CJI | Download | Experimental | e2cjiA1 | cradle loop barrel | LigPlot |