PDB ligand accession: UHM
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: PZOXHLAZHKNFDQ-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)C(=O)NCc2cnsc2)OCC#N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoic acids and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5RH8 | Download | Experimental | e5rh8A1 e5rh8A2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |