Reaction Details Report a problem with these data
Target
Phosphodiesterase
Ligand
BDBM320690
Substrate
n/a
Meas. Tech.
Lab B PDE2 assay
Ki
0.110±n/a nM
Citation
 Shen, D; Dwyer, MP; Sinz, CJ; Wang, D; Stachel, SJ; Paone, DV; Forster, A; Berger, R; Chen, Y; Qian, Y; Xu, S; Hu, C Dihydropyrazolopyrimidinone compounds as PDE2 inhibitors US Patent  US10174037 Publication Date 1/8/2019 
Target
Name:
Phosphodiesterase
Synonyms:
PDE2A
Type:
Enzyme Catalytic Domain
Mol. Mass.:
105104.20
Organism:
Macaca mulatta (Rhesus macaque)
Description:
n/a
Residue:
935
Sequence:
MVLVLHHILIAVVQFLRRGQQVFLKPDEPPPPPPQPCADSLQDALLSLGSVIDISGLQRAVKEALSAVLPRVETVYTYLLDGESRLVCEDPPHELPQEGKVWEAIISQKRLGCNGLGLSDLPGKPLARLVAPLAPHTQVLVIPLVDKEAGAVAAVILVHCGQLSDNEEWSLQAVEKHTLVALRRVQALQQRRPSEAPRAVQNPPEGAVEDQKGGAAYTDRDRKILQLCGELYDLDASSLQLKVLQYLQQETRASRCCLLLVSEDSLQLSCKVMGDKVLGEEISFPLTGCLGQVVEDKKSIQLKDLTSEDVQQLQSMLGCELQAMLCVPVISRATDQVVALACAFNKLEGDLFTDQDEHVIQHCFHYTSTVLTSTLAFQKEQKLKCECQALLQVAKNLFTHLDDVSVLLQEIITEARNLSNAEICSVFLLDQNELVAKVFDGGVVDDESYEIRIPADQGIAGHVATTGQILNIPDAYAHPLFYRGVDDSTGFRTRNILCFPIKNENQEVIGVAELVNKINGPWFSKFDEDLATAFSIYCGISIAHSLLYKKVNEAQYRSHLANEMMMYHMKVSDDESTKLLHDGIQPVAAIDSNFASFTYTPRSLPEDDTSMAILSMLQDMNFINNYKIDCPTLARFCLMVKKGYRDPPYHNWMHAFSVSHFCYLLYKNLELTNYLEDIEIFALFISCMCHDLDHRGTNNSFQVASKSVLAALYSSEGSVMERHHFAQAIAILNTHGCNIFDHFSRKDYQRMLDLMRDIILATDLAHHLRIFKDLQKMAEVGYDRNNKQHHRLLLCLLMTSCDLSDQTKGWKTTRKIAELIYKEFFSQGDLEKAMGNRPMEMMDREKAYIPELQISFMEHIAMPIYKLLQDLFPEAAELYERVASNREHWTKVSHKFTIRGLPSNNSLDFLDEEYEVPDLDGTGAPINGCCSLDAE
  
Inhibitor
Name:
BDBM320690
Synonyms:
(R)- or (S)-6-(Dimethylamino)-1-(1- (3-fluoro-4-(2,2,2- trifluoroethyl)phenyl)propyl)-3- (hydroxymethyl)-1H-pyrazolo[3,4- d]pyrimidin-4(5H)-one | US10174037, Example 96 | US10174037, Example 97
Type:
Small organic molecule
Emp. Form.:
C19H21F4N5O2
Mol. Mass.:
427.396
SMILES:
CCC(c1ccc(CC(F)(F)F)c(F)c1)n1nc(CO)c2c1nc([nH]c2=O)N(C)C
Structure:
Search PDB for entries with ligand similarity: