PDB ligand accession: UHS
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: BFKJCDNTNNMOGO-GOSISDBHSA-N
SMILES: CCC(=O)N(c1cc(on1)C(C)(C)C)C(c2cccnc2)C(=O)NC(C)(C)C
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 |
---|---|---|---|---|---|
5RGT | Download | Experimental | e5rgtA1 e5rgtA2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |