PDB ligand accession: G00
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: IONZMLSFEITLRK-UHFFFAOYSA-N
SMILES: CCCCOc1ccc(cc1Cl)CSC(=N)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Phenol ethers
- Subclass: None
- Class: Phenol ethers
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3KMX | Download | Experimental | e3kmxA2 e3kmxA3 e3kmxB2 e3kmxB3 | cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel | LigPlot |