PDB ligand accession: GD9
DrugBank: DB11663
PubChem:
ChEMBL:
InChI Key: LHNIIDJUOCFXAP-UHFFFAOYSA-N
SMILES: CS(=O)(=O)N1CCN(CC1)Cc2cc3c(s2)c(nc(n3)c4cccc5c4cn[nH]5)N6CCOCC6
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Thienopyrimidines
- Subclass: None
- Class: Thienopyrimidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2Y3A | Download | Experimental | e2y3aA4 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |