PDB ligand accession: JGG
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: ZXWAHHRBFVCEAR-UHFFFAOYSA-N
SMILES: c1cc(ccc1CNC(=O)N2CCOCC2)C#N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Oxazinanes
- Subclass: Morpholines
- Class: Oxazinanes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5S2J | Download | Experimental | e5s2jB1 | Macro domain-like | LigPlot |
5RFE | Download | Experimental | e5rfeA1 e5rfeA2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |