PDB ligand accession: XC4
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: YPFWNRLSYPAVJB-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)nnn2OC(=O)c3ccc4c(c3)cc[nH]4
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Indoles and derivatives
- Subclass: Indolecarboxylic acids and derivatives
- Class: Indoles and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7KYU | Download | Experimental | e7kyuA1 e7kyuA2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |