Ligand name: THEOPHYLLINE
PDB ligand accession: TEP
DrugBank: DB00277
PubChem: 2153
ChEMBL: CHEMBL190
InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N
SMILES: CN1c2c([nH]cn2)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 TEP

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	Q6P988_TEP	Q6P988	Palmitoleoyl-protein carboxylesterase NOTUM	n/a	Kd(nM) = 6800000.0
2	Q8K4Z3_TEP	Q8K4Z3	NAD(P)H-hydrate epimerase (EC	n/a
3	P25440_TEP	P25440	Bromodomain-containing protein 2	n/a
4	H9N289_TEP	H9N289	Methylxanthine N1-demethylase NdmA	n/a
5	Q14432_TEP	Q14432	cGMP-inhibited 3',5'-cyclic phosphodiesterase	inhibitor	IC50(nM) = 360000.0
6	Q07343_TEP	Q07343	3',5'-cyclic-AMP phosphodiesterase 4B	inhibitor	Ki(nM) = 56800.0 IC50(nM) = 1780000.0
7	Q99829_TEP	Q99829	Copine-1 (Chromobindin 17)	n/a
8	Q9Y4R7_TEP	Q9Y4R7	Tubulin monoglycylase TTLL3	n/a
9	P27815_TEP	P27815	3',5'-cyclic-AMP phosphodiesterase 4A	inhibitor	IC50(nM) = 386000.0
10	Q15155_TEP	Q15155	BOS complex subunit	n/a
11	P30542_TEP	P30542	Adenosine receptor A1	antagonist	Ki(nM) = 0.6 Kd(nM) = 12000.0
12	P29274_TEP	P29274	Adenosine receptor A2a	antagonist	Ki(nM) = 0.6 Kd(nM) = 3630.0 EC50(nM) = 28200.0
13	P09874_TEP	P09874	Poly [ADP-ribose] polymerase	n/a
14	Q92769_TEP	Q92769	Histone deacetylase 2	activator
15	Q873X9_TEP	Q873X9	Endochitinase B1 (EC	n/a	IC50(nM) = 1500000.0
16	O00764_TEP	O00764	Pyridoxal kinase (EC	n/a
17	P29275_TEP	P29275	Adenosine receptor A2b	antagonist	Ki(nM) = 2700.0
18	O76074_TEP	O76074	cGMP-specific 3',5'-cyclic phosphodiesterase	inhibitor