PDB ligand accession: OD7
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: NIAFAWJPFVWDCR-UHFFFAOYSA-N
SMILES: COc1ccc2c(c1)n(nn2)CC(=O)N(Cc3ccccn3)c4ccc(cc4)C5CCNCC5
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Piperidines
- Subclass: Phenylpiperidines
- Class: Piperidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7GFJ | Download | Experimental | e7gfjA1 e7gfjA2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |