PDB ligand accession: QIQ
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: LPKOUSTWJUXVBF-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)cncc2NC(=O)Cc3cc(cnc3)Cl
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 |
---|---|---|---|---|---|
7GIS | Download | Experimental | e7gisA1 e7gisA2 e7gisB1 e7gisA1 e7gisB1 e7gisB2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |