PDB ligand accession: S7V
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: WQNIKIMRIXHNFF-GFCCVEGCSA-N
SMILES: c1ccc(cc1)CN2CCOC(C2)CO
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Phenylmethylamines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5RGS | Download | Experimental | e5rgsA1 e5rgsA2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |