Reaction Details Report a problem with these data
Target
cGMP-dependent 3',5'-cyclic phosphodiesterase
Ligand
BDBM107797
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
1.00±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:
BDBM107797
Synonyms:
US8598155, 34
Type:
Small organic molecule
Emp. Form.:
C19H17ClFN7
Mol. Mass.:
397.837
SMILES:
Cc1nc(-c2cnn(C)c2-c2ccc(Cl)cc2F)c2c(ncnn12)N1CCC1 |(-.46,-3.97,;-1.23,-2.64,;-.32,-1.39,;-1.23,-.15,;-.46,1.19,;-1.36,2.43,;-.46,3.68,;1.01,3.2,;2.34,3.97,;1.01,1.66,;2.09,.57,;1.7,-.91,;2.78,-2,;4.27,-1.6,;5.36,-2.69,;4.67,-.12,;3.58,.97,;3.98,2.46,;-2.69,-.62,;-4.03,.15,;-5.36,-.62,;-5.36,-2.16,;-4.03,-2.93,;-2.69,-2.16,;-4.03,1.69,;-2.94,2.78,;-4.03,3.86,;-5.12,2.78,)|
Structure:
Search PDB for entries with ligand similarity: