Reaction Details Report a problem with these data
Target
Phosphodiesterase
Ligand
BDBM355418
Substrate
n/a
Meas. Tech.
Fluorescence Polarization (FP) Assay
Ki
0.880±n/a nM
Citation
 Shen, DM; Egbertson, M; Berger, R; Qian, X; Qian, Y; Harper, B; Yang, M; Guo, ZZ; Rada, VL; Wang, D; Cernak, TA; Sinz, C; Wang, M; Wilson, JE; Xu, S Pyrimidone carboxamide compounds as PDE2 inhibitors US Patent  US9815796 Publication Date 11/14/2017 
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:
BDBM355418
Synonyms:
N-{(1R)-2,2-dimethyl-1-[4- (trifluoromethoxy)phenyl]propyl}- 2-(3-fluoro-4-methoxybenzyl)-6- oxo-1,6-dihydropyrimidine-4- carboxamide | US9815796, Example 509
Type:
Small organic molecule
Emp. Form.:
C25H25F4N3O4
Mol. Mass.:
507.4773
SMILES:
COc1ccc(Cc2nc(cc(=O)[nH]2)C(=O)N[C@@H](c2ccc(OC(F)(F)F)cc2)C(C)(C)C)cc1F |r|
Structure:
Search PDB for entries with ligand similarity: