PDB ligand accession: 6CP
DrugBank: DB07203
PubChem:
ChEMBL:
InChI Key: OUEGMEMDEAOAEG-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)Cl)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 |
---|---|---|---|---|---|
1H1R | Download | Experimental | e1h1rA1 e1h1rC1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |