PDB ligand accession: 9YJ
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: PNPUVQZAAVTLKS-UHFFFAOYSA-N
SMILES: CC(C)(C)n1c2c(c(ncn2)N)c(n1)Sc3cccc(c3)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organosulfur compounds
- Class: Thioethers
- Subclass: Aryl thioethers
- Class: Thioethers
- Superclass: Organosulfur compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5W9E | Download | Experimental | e5w9eA3 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |