PDB ligand accession: M5I
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: VKQLRXLEZSWDDW-UHFFFAOYSA-N
SMILES: Cc1ccncc1CC(=O)Nc2cccc(c2)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Anilides
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7GDI | Download | Experimental | e7gdiA1 e7gdiA2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |