PDB ligand accession: YU4
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: BHQBUUBHCKLKLD-UHFFFAOYSA-N
SMILES: c1cc(cnc1)N2C=C(C=C(C2=O)c3cc(cc(c3)Cl)OCCC(F)(F)F)C4=CNC(=O)NC4=O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Phenylpyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7M91 | Download | Experimental | e7m91A1 e7m91A2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain cradle loop barrel | LigPlot |