PDB ligand accession: 5RU
DrugBank: n/a
PubChem: 861230;135567097;
ChEMBL:
InChI Key: DBXBVKPIQPXRBY-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)CSc2[nH]c3c(n2)C(=O)NC(=N3)N)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Imidazopyrimidines
- Subclass: Purines and purine derivatives
- Class: Imidazopyrimidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5ETK | Download | Experimental | e5etkA1 | Alpha-beta plaits | LigPlot |