Reaction Details Report a problem with these data
Target
Phosphodiesterase
Ligand
BDBM144404
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
8±n/a
IC50
0.18±n/a nM
Comments
extracted
Citation
 Kawanishi, E; Hongu, M; Tanaka, Y Pyrazolopyrimidine compounds and their use as PDE10 inhibitors US Patent  US8969376 Publication Date 3/3/2015 
Target
Name:
Phosphodiesterase
Synonyms:
Phosphodiesterase 10A (PDE10A)
Type:
Protein
Mol. Mass.:
81617.01
Organism:
Bos taurus (Bovine)
Description:
F1MPW5
Residue:
711
Sequence:
WFGEEAWEGCSVARNLCPPYQDTNMQGVVYELNSYIEQRLDTGGDNQLLLYELSSIIKIATKADGFALYFLGECNNSLCVFIPPGIKEGKPKLIPAGPIAQGTTTSAYVAKSRKTLLVEDILGDERFPRGTGLESGTRIQSVLCLPIVTAIGDLIGILELYRHWGKEAFRLSHQEVATANLAWASVAIHQVQVCRVFISRDVIYAKNLVNADRCALFQVDHKNKELYSDLFDIGEEKEGKPVFKKTKEIRFSIEKGIAGQVARTGEVLNIPDAYADPRFNREVDLYTGYTTRNILCMPIVSRGSVIGVVQMVNKLSGSAFSKTDENNFKMFAVFCALALHCANMYHRIRHSECIYRVTMEKLSYHSICTAEEWQGLMHFNLPGRLCKEIELFHFDVGPFENMWPGIFVYMIHRSCGTACFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNSRGLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTRLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQIFPATEPLLKACRNNLSQWEKVIRGEESALGIPDLPEAEGSPERLPVKTDD
  
Inhibitor
Name:
BDBM144404
Synonyms:
US8969376, 1.085
Type:
Small organic molecule
Emp. Form.:
C26H27F4N7O
Mol. Mass.:
529.5325
SMILES:
C[C@]1(O)CC[C@@H](CC1)Nc1cc(nc2cc(nn12)-c1nc2ccccc2nc1C(F)(F)F)N1CC[C@@H](F)C1 |r,wU:5.8,1.0,wD:35.40,1.1,(8.09,-4.75,;6.55,-4.75,;7.88,-5.52,;6.55,-3.21,;5.21,-2.44,;3.88,-3.21,;3.88,-4.75,;5.21,-5.52,;2.55,-2.44,;2.55,-.9,;3.88,-.13,;3.88,1.41,;2.55,2.18,;1.21,1.41,;-.25,1.88,;-1.16,.64,;-.25,-.61,;1.21,-.13,;-2.7,.64,;-3.47,-.7,;-5.01,-.7,;-5.78,-2.03,;-7.32,-2.03,;-8.09,-.7,;-7.32,.64,;-5.78,.64,;-5.01,1.97,;-3.47,1.97,;-2.7,3.3,;-1.93,4.64,;-4.03,4.07,;-1.36,2.53,;5.21,2.18,;6.68,1.7,;7.58,2.95,;6.68,4.19,;7.45,5.52,;5.21,3.72,)|
Structure:
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