PDB ligand accession: Q2U
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: IOKPKVSTRDCKNE-UHFFFAOYSA-N
SMILES: COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3c2cccc3
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 |
---|---|---|---|---|---|
7GH6 | Download | Experimental | e7gh6A1 e7gh6A2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |