PDB ligand accession: JGY
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: WBAZBPMBDLSPCX-QMMMGPOBSA-N
SMILES: Cn1ccc(n1)C(=O)NCC2CCCO2
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Carboxylic acids and derivatives
- Subclass: Carboxylic acid derivatives
- 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 |
---|---|---|---|---|---|
5RFA | Download | Experimental | e5rfaA1 e5rfaA2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |