PDB ligand accession: 2A6
DrugBank: DB06948
PubChem:
ChEMBL:
InChI Key: XWWRLKIBRPJQJX-UHFFFAOYSA-N
SMILES: c1ccc(cc1)Nc2nc3c(c(n2)OCC4CCCCC4)[nH]cn3
Drug action: inhibitor
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 |
---|---|---|---|---|---|
1H1Q | Download | Experimental | e1h1qA1 e1h1qC1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |