PDB ligand accession: OIX
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: SWRAJWUUCVFLBR-UHFFFAOYSA-N
SMILES: COc1ccccc1OCCNC(=O)c2cncc3c2cccc3
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 |
---|---|---|---|---|---|
7GFT | Download | Experimental | e7gftA1 e7gftA2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |