PDB ligand accession: T8M
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: PEHVQKQLQOREKN-UHFFFAOYSA-N
SMILES: CC(=O)N1CCN(CC1)Cc2cccs2
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic nitrogen compounds
- Class: Organonitrogen compounds
- Subclass: Amines
- Class: Organonitrogen compounds
- Superclass: Organic nitrogen compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5RFW | Download | Experimental | e5rfwA1 e5rfwA2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |
5RHA | Download | Experimental | e5rhaA1 e5rhaA2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |