PDB ligand accession: R1U
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: YMBXBLIFBSFTRM-UHFFFAOYSA-N
SMILES: Cn1c2c(cncc2NC(=O)Cc3cccc(c3)Cl)cn1
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Phenylacetamides
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7GKY | Download | Experimental | e7gkyA1 e7gkyA2 e7gkyB1 e7gkyA1 e7gkyB1 e7gkyB2 | cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel cradle loop barrel cradle loop barrel Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |