PDB ligand accession: NWI
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: AFQAFSYTYCJOEN-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2nccc3
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazanaphthalenes
- Subclass: Naphthyridines
- Class: Diazanaphthalenes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7GEW | Download | Experimental | e7gewA1 e7gewA2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |