PDB ligand accession: X55
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: IHRIZEYEEMHXFS-QGZVFWFLSA-N
SMILES: COc1cc(c(cc1O)Br)C2N(C(=O)CS2)Cc3ccccc3
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Phenols
- Subclass: Methoxyphenols
- Class: Phenols
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3JTK | Download | Experimental | e3jtkA1 e3jtkA2 | Nat/Ivy Nat/Ivy | LigPlot |