PDB ligand accession: NRX
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: SDPLNJUUYIUIPZ-UHFFFAOYSA-N
SMILES: c1ccn2cnc(c2c1)NC(=O)Cc3cccc(c3)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Phenylacetamides
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7GEO | Download | Experimental | e7geoA1 e7geoA2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |