PDB ligand accession: IBZ
DrugBank: DB03630
PubChem:
ChEMBL: n/a
InChI Key: KVYARXTXGITUCU-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)CS)I
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Halobenzenes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1CEL | Download | Experimental | e1celA1 e1celB1 | jelly-roll jelly-roll | LigPlot |