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Target
cGMP-dependent 3',5'-cyclic phosphodiesterase
Ligand
BDBM107814
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
0.959±0.0 nM
Citation
 Helal, CJ; Chappie, TA; Humphrey, JM; Verhoest, PR; Yang, E Imidazo[5,1-f][1,2,4]triazines for the treatment of neurological disorders US Patent  US8598155 Publication Date 12/3/2013 
Target
Name:
cGMP-dependent 3',5'-cyclic phosphodiesterase
Synonyms:
CGS-PDE | Cyclic GMP-stimulated phosphodiesterase | Homo sapiens phosphodiesterase 2A (PDE2A) | NM_002599 | PDE2A | PDE2A_HUMAN | cGSPDE
Type:
Enzyme Catalytic Domain
Mol. Mass.:
105691.58
Organism:
Homo sapiens (Human)
Description:
O00408
Residue:
941
Sequence:
MGQACGHSILCRSQQYPAARPAEPRGQQVFLKPDEPPPPPQPCADSLQDALLSLGSVIDISGLQRAVKEALSAVLPRVETVYTYLLDGESQLVCEDPPHELPQEGKVREAIISQKRLGCNGLGFSDLPGKPLARLVAPLAPDTQVLVMPLADKEAGAVAAVILVHCGQLSDNEEWSLQAVEKHTLVALRRVQVLQQRGPREAPRAVQNPPEGTAEDQKGGAAYTDRDRKILQLCGELYDLDASSLQLKVLQYLQQETRASRCCLLLVSEDNLQLSCKVIGDKVLGEEVSFPLTGCLGQVVEDKKSIQLKDLTSEDVQQLQSMLGCELQAMLCVPVISRATDQVVALACAFNKLEGDLFTDEDEHVIQHCFHYTSTVLTSTLAFQKEQKLKCECQALLQVAKNLFTHLDDVSVLLQEIITEARNLSNAEICSVFLLDQNELVAKVFDGGVVDDESYEIRIPADQGIAGHVATTGQILNIPDAYAHPLFYRGVDDSTGFRTRNILCFPIKNENQEVIGVAELVNKINGPWFSKFDEDLATAFSIYCGISIAHSLLYKKVNEAQYRSHLANEMMMYHMKVSDDEYTKLLHDGIQPVAAIDSNFASFTYTPRSLPEDDTSMAILSMLQDMNFINNYKIDCPTLARFCLMVKKGYRDPPYHNWMHAFSVSHFCYLLYKNLELTNYLEDIEIFALFISCMCHDLDHRGTNNSFQVASKSVLAALYSSEGSVMERHHFAQAIAILNTHGCNIFDHFSRKDYQRMLDLMRDIILATDLAHHLRIFKDLQKMAEVGYDRNNKQHHRLLLCLLMTSCDLSDQTKGWKTTRKIAELIYKEFFSQGDLEKAMGNRPMEMMDREKAYIPELQISFMEHIAMPIYKLLQDLFPKAAELYERVASNREHWTKVSHKFTIRGLPSNNSLDFLDEEYEVPDLDGTRAPINGCCSLDAE
  
Inhibitor
Name:
BDBM107814
Synonyms:
US8598155, 51
Type:
Small organic molecule
Emp. Form.:
C21H17F3N8
Mol. Mass.:
438.4085
SMILES:
Cc1nc(-c2cnn(C)c2-c2ccc(cc2C#N)C(F)(F)F)c2c(ncnn12)N1CCC1 |(-1,-3.97,;-1.77,-2.64,;-.87,-1.39,;-1.77,-.15,;-1,1.19,;-1.91,2.43,;-1,3.68,;.46,3.2,;1.79,3.97,;.46,1.66,;1.55,.57,;1.15,-.91,;2.24,-2,;3.73,-1.6,;4.13,-.12,;3.04,.97,;3.44,2.46,;3.83,3.95,;4.82,-2.69,;5.91,-3.78,;3.73,-3.78,;5.91,-1.6,;-3.24,-.62,;-4.57,.15,;-5.91,-.62,;-5.91,-2.16,;-4.57,-2.93,;-3.24,-2.16,;-4.57,1.69,;-3.48,2.78,;-4.57,3.86,;-5.66,2.78,)|
Structure:
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