PDB ligand accession: JFM
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: JGDDFCYMSLNOGJ-UHFFFAOYSA-N
SMILES: CS(=O)(=O)NCCc1ccccc1
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: None
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5R7Y | Download | Experimental | e5r7yA1 e5r7yA2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |
5RLI | Download | Experimental | e5rliA2 e5rliA5 e5rliA6 e5rliB1 e5rliB2 e5rliB4 | MERS-CoV helicase helical bundle domain RING/U-box-like P-loop domains-like RING/U-box-like P-loop domains-like MERS-CoV helicase helical bundle domain | LigPlot |