PDB ligand accession: 5P9
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: SHUGQXDCDVWNCL-GFCCVEGCSA-N
SMILES: c1ccc2c(c1)C(CC2=O)C(=O)Nc3ccc(cn3)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Indanes
- Subclass: Indanones
- Class: Indanes
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7P51 | Download | Experimental | e7p51A1 e7p51A2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |