PDB ligand accession: QKB
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: YVSNGUCAHVBFFA-CQSZACIVSA-N
SMILES: c1cc2cncc(c2cc1F)NC(=O)C3CCOc4c3cc(cc4)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 |
---|---|---|---|---|---|
7GJ4 | Download | Experimental | e7gj4A1 e7gj4A2 e7gj4B1 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |