PDB ligand accession: K1G
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: ACQZDWVVKAKBAO-UHFFFAOYSA-N
SMILES: CC(C)N(C)c1c2cnn(c2ncn1)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyrazolopyrimidines
- Subclass: Pyrazolo[3,4-d]pyrimidines
- Class: Pyrazolopyrimidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5RGR | Download | Experimental | e5rgrA2 | Coronavirus main proteinase (3Cl-pro, putative coronavirus nsp2) C-terminal domain | LigPlot |