PDB ligand accession: L1F
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: BIHUQYISOBUTJB-UHFFFAOYSA-N
SMILES: CN(CCOc1ccccc1OC)C(=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 |
---|---|---|---|---|---|
7GBT | Download | Experimental | e7gbtA1 e7gbtA2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |