Ligand name: 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol
PDB ligand accession: H9F
DrugBank: DB00975
PubChem: 3108
ChEMBL: CHEMBL932
InChI Key: IZEKFCXSFNUWAM-UHFFFAOYSA-N
SMILES: C1CCN(CC1)c2c3c(c(nc(n3)N(CCO)CCO)N4CCCCC4)nc(n2)N(CCO)CCO

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic nitrogen compounds
    • Class: Organonitrogen compounds
      • Subclass: Amines

List of proteins that are targets for DB00975

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	P07900_H9F	P07900	Heat shock protein	n/a	IC50(nM) = 21068.2
2	Q9Y233_H9F	Q9Y233	cAMP and cAMP-inhibited	inhibitor	Ki(nM) = 1000.0
3	P02730_H9F	P02730	Band 3 anion	n/a
4	O76074_H9F	O76074	cGMP-specific 3',5'-cyclic phosphodiesterase	inhibitor	IC50(nM) = 500.0
5	P00813_H9F	P00813	Adenosine deaminase (EC	inhibitor
6	P02763_H9F	P02763	Alpha-1-acid glycoprotein 1	n/a
7	P27815_H9F	P27815	3',5'-cyclic-AMP phosphodiesterase 4A	inhibitor