Ligand name: 3-ISOBUTYL-1-METHYLXANTHINE
PDB ligand accession: IBM
DrugBank: DB07954
PubChem: 3758
ChEMBL: CHEMBL275084
InChI Key: APIXJSLKIYYUKG-UHFFFAOYSA-N
SMILES: CC(C)CN1c2c(nc[nH]2)C(=O)N(C1=O)C

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Imidazopyrimidines
      • Subclass: Purines and purine derivatives

List of proteins that are targets for DB07954

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	O76083_IBM	O76083	n/a	IC50(nM) = 117000.0
2	O00408_IBM	O00408	inhibitor	IC50(nM) = 4000.0
3	Q13370_IBM	Q13370	n/a	IC50(nM) = 242.0
4	O76074_IBM	O76074	inhibitor	Ki(nM) = 8500.0 IC50(nM) = 2100.0
5	O60658_IBM	O60658	n/a	IC50(nM) = 700000.0
6	Q6S996_IBM	Q6S996	n/a
7	Q53Y40_IBM	Q53Y40	n/a
8	Q08499_IBM	Q08499	inhibitor	IC50(nM) = 31000.0
9	P16586_IBM	P16586	n/a
10	Q13946_IBM	Q13946	n/a	Ki(nM) = 4000.0 IC50(nM) = 85600.0