Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetPhosphodiesterase 4C
LigandBDBM285547
Substrate/Competitorn/a
IC50 74.8±n/a nM
Citation Chappie TAVerhoest PRPatel NCHayward MMHelal CJSciabola SLaChapelle EAYoung JM Imidazopyridazine compounds US Patent  US9598421 Publication Date 3/21/2017
More Info.:Get all data from this article,  Assay Method
 
Phosphodiesterase 4C
Name:Phosphodiesterase 4 and 5 (PDE4 and PDE5)
Synonyms:DPDE1 | PDE21 | PDE4C2 | Phosphodiesterase 4C
Type:PROTEIN
Mol. Mass.:79875.54
Organism:Homo sapiens (Human)
Description:ChEMBL_864910
Residue:712
Sequence:
MENLGVGEGAEACSRLSRSRGRHSMTRAPKHLWRQPRRPIRIQQRFYSDPDKSAGCRERD
LSPRPELRKSRLSWPVSSCRRFDLENGLSCGRRALDPQSSPGLGRIMQAPVPHSQRRESF
LYRSDSDYELSPKAMSRNSSVASDLHGEDMIVTPFAQVLASLRTVRSNVAALARQQCLGA
AKQGPVGNPSSSNQLPPAEDTGQKLALETLDELDWCLDQLETLQTRHSVGEMASNKFKRI
LNRELTHLSETSRSGNQVSEYISRTFLDQQTEVELPKVTAEEAPQPMSRISGLHGLCHSA
SLSSATVPRFGVQTDQEEQLAKELEDTNKWGLDVFKVAELSGNRPLTAIIFSIFQERDLL
KTFQIPADTLATYLLMLEGHYHANVAYHNSLHAADVAQSTHVLLATPALEAVFTDLEILA
ALFASAIHDVDHPGVSNQFLINTNSELALMYNDASVLENHHLAVGFKLLQAENCDIFQNL
SAKQRLSLRRMVIDMVLATDMSKHMNLLADLKTMVETKKVTSLGVLLLDNYSDRIQVLQN
LVHCADLSNPTKPLPLYRQWTDRIMAEFFQQGDRERESGLDISPMCDKHTASVEKSQVGF
IDYIAHPLWETWADLVHPDAQDLLDTLEDNREWYQSKIPRSPSDLTNPERDGPDRFQFEL
TLEEAEEEDEEEEEEGEETALAKEALELPDTELLSPEAGPDPGDLPLDNQRT
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM285547
n/a
NameBDBM285547
Synonyms:4-[2-(azetidin-1-ylcarbonyl)imidazo[1,2-b]pyridazin-3-yl]-2-fluoro-5-methylbenzonitrile | US10077269, Example 20 | US9598421, Example 20
TypeSmall organic molecule
Emp. Form.C18H14FN5O
Mol. Mass.335.3351
SMILESCc1cc(C#N)c(F)cc1-c1c(nc2cccnn12)C(=O)N1CCC1 |(-8.25,-24.93,;-6.77,-24.54,;-6.37,-23.05,;-4.88,-22.65,;-4.48,-21.16,;-4.16,-19.66,;-3.79,-23.74,;-2.3,-23.34,;-4.19,-25.23,;-5.68,-25.62,;-6.08,-27.11,;-5.17,-28.36,;-6.08,-29.6,;-7.54,-29.13,;-8.87,-29.9,;-10.21,-29.13,;-10.21,-27.59,;-8.87,-26.82,;-7.54,-27.59,;-3.63,-28.36,;-2.86,-27.02,;-2.86,-29.69,;-3.26,-31.18,;-1.77,-31.58,;-1.37,-30.09,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: