PDB ligand accession: PWR
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: CJFRFTLFKMUSPS-OAHLLOKOSA-N
SMILES: c1ccc2c(c1)c[n+](cc2NC(=O)C3CCOc4c3cc(cc4)Cl)[O-]
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Isoquinolines and derivatives
- Subclass: None
- Class: Isoquinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7GH0 | Download | Experimental | e7gh0A1 e7gh0A2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |