PDB ligand accession: CWK
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: NJQGFQIHQPLUNX-GFEQUFNTSA-N
SMILES: c1cc(ccc1C#N)c2ccc(c(c2)Cl)OC3C(C(C(C(O3)CO)O)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Carbohydrates and carbohydrate conjugates
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4CST | Download | Experimental | e4cstA1 | Immunoglobulin-like beta-sandwich | LigPlot |