PDB ligand accession: S8E
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: GTMVCVDSEXJDHD-HXUWFJFHSA-N
SMILES: CCNP(=O)(NCCBr)OCc1cnc(n1C)N(O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Imidazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7AWS | Download | Experimental | e7awsA1 e7awsA2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |