PDB ligand accession: QM9
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: RPJBJMKATYTDKW-IBGZPJMESA-N
SMILES: c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)N
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 |
---|---|---|---|---|---|
7GJD | Download | Experimental | e7gjdA1 e7gjdA2 e7gjdB2 e7gjdA2 e7gjdB1 e7gjdB2 | 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 cradle loop barrel | LigPlot |