Reaction Details Report a problem with these data
Target
Phosphodiesterase
Ligand
BDBM331974
Substrate
n/a
Meas. Tech.
PDE2A3 assay
Ki
631±n/a nM
Citation
 Shen, D; Wilson, JE; McCracken, T Heteroaryl-pyrimidinone compounds as PDE2 inhibitors US Patent  US10195201 Publication Date 2/5/2019 
Target
Name:
Phosphodiesterase
Synonyms:
PDE2A3 | Phosphodiesterase A3 (PDE2A3)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
105547.91
Organism:
Macaca mulatta (Rhesus macaque)
Description:
n/a
Residue:
941
Sequence:
MGQACGHSILCRSQQYPAARPAEPRGQQVFLKPDEPPPPPQPCADSLQDALLSLGSVIDISGLQRAVKEALSAVLPRVETVYTYLLDGESRLVCEDPPHELPQEGKVWEAIISQKRLGCNGLGLSDLPGKPLARLVAPLAPHTQVLVIPLVDKEAGAVAAVILVHCGQLSDNEEWSLQAVEKHTLVALRRVQALQQRRPSEAPQAVQNPPEGAVEDQKGGAAYTDRDRKILQLCGELYDLDASSLQLKVLQYLQQETRASRCCLLLVSEDSLQLSCKVMGDKVLGEEISFPLTGCLGQVVEDKKSIQLKDLTSEDVQQLQSMLGCELQAMLCVPVISRATDQVVALACAFNKLEGDLFTDQDEHVIQHCFHYTSTVLTSTLAFQKEQKLKCECQALLQVAKNLFTHLDDVSVLLQEIITEARNLSNAEICSVFLLDQNELVAKVFDGGVVDDESYEIRIPADQGIAGHVATTGQILNIPDAYAHPLFYRGVDDSTGFRTRNILCFPIKNENQEVIGVAELVNKINGPWFSKFDEDLATAFSIYCGISIAHSLLYKKVNEAQYRSHLANEMMMYHMKVSDDESTKLLHDGIQPVAAIDSNFASFTYTPRSLPEDDTSMAILSMLQDMNFINNYKIDCPTLARFCLMVKKGYRDPPYHNWMHAFSVSHFCYLLYKNLELTNYLEDIEIFALFISCMCHDLDHRGTNNSFQVASKSVLAALYSSEGSVMERHHFAQAIAILNTHGCNIFDHFSRKDYQRMLDLMRDIILATDLAHHLRIFKDLQKMAEVGYDRNNKQHHRLLLCLLMTSCDLSDQTKGWKTTRKIAELIYKEFFSQGDLEKAMGNRPMEMMDREKAYIPELQISFMEHIAMPIYKLLQDLFPEAAELYERVASNREHWTKVSHKFTIRGLPSNNSLDFLDEEYEVPDLDGTGAPINGCCSLDAE
  
Inhibitor
Name:
BDBM331974
Synonyms:
US10195201, Example 13
Type:
Small organic molecule
Emp. Form.:
C17H15F3N4O
Mol. Mass.:
348.3224
SMILES:
CC(c1cnc([nH]1)-c1cc(=O)[nH]c(C)n1)c1ccc(cc1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: