PDB ligand accession: T9J
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: NITJFOXRSHCWBE-ZDUSSCGKSA-N
SMILES: CC(=O)NC(Cc1ccc(cc1)O)C(=O)NCC#CBr
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Carboxylic acids and derivatives
- Subclass: Amino acids, peptides, and analogues
- Class: Carboxylic acids and derivatives
- Superclass: Organic acids and derivatives
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5RG1 | Download | Experimental | e5rg1A1 e5rg1A2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |