Reaction Details Report a problem with these data
Target
Phosphodiesterase
Ligand
BDBM320642
Substrate
n/a
Meas. Tech.
Lab B PDE2 assay
Ki
6.80±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
More Info.:
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:
BDBM320642
Synonyms:
(S)-3-(Fluoromethyl)-6-hydroxy-1- (1-(4- (pentafluorolhio)phenyl)ethyl)-1H- pyrazolo[3,4-d]pyrimidin-4(5H)- one | US10174037, Example 50
Type:
Small organic molecule
Emp. Form.:
C15H12F4N4O2
Mol. Mass.:
356.275
SMILES:
C[C@@H](c1ccc(cc1)C(F)(F)F)n1nc(CF)c2c1nc(O)[nH]c2=O |r|