PDB ligand accession: ONU
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: DFIJRDVINKLDBU-UHFFFAOYSA-N
SMILES: COc1ccccc1NC2CN(C2)C(=O)C3=CC(=O)Nc4c3cccc4
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Quinolines and derivatives
- Subclass: Quinoline carboxamides
- Class: Quinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7GFZ | Download | Experimental | e7gfzA1 e7gfzA2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |