PDB ligand accession: D90
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: HLZHKMHNSZRIOD-UHFFFAOYSA-N
SMILES: CN1CCc2c(sc(n2)C(=O)Nc3ccccc3NC(=O)c4cc5cc(ccc5[nH]4)Cl)C1
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Anilides
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3Q3K | Download | Experimental | e3q3kA1 | cradle loop barrel | LigPlot |