PDB ligand accession: R9W
DrugBank: DB13668
PubChem:
ChEMBL:
InChI Key: YLUSMKAJIQOXPV-UHFFFAOYSA-N
SMILES: C1CCc2c(c(c3c(n2)CCC3)N)C1
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Quinolines and derivatives
- Subclass: Aminoquinolines and derivatives
- Class: Quinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7AF0 | Download | Experimental | e7af0A1 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |