Target
Phosphodiesterase
Ligand
BDBM144394
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
8±n/a
IC50
0.09±n/a nM
Comments
extracted
Citation
 Kawanishi, EHongu, MTanaka, 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:
BDBM144394
Synonyms:
US8969376, 1.013
Type:
Small organic molecule
Emp. Form.:
C26H29F2N7O
Mol. Mass.:
493.5516
SMILES:
Cc1nc2ccc(F)cc2nc1-c1cc2nc(cc(N[C@H]3CC[C@](C)(O)CC3)n2n1)N1CC[C@@H](F)C1 |r,wU:20.21,23.25,wD:33.38,23.26,(-2.7,3.3,;-3.47,1.97,;-5.01,1.97,;-5.78,.64,;-7.32,.64,;-8.09,-.7,;-7.32,-2.03,;-8.09,-3.37,;-5.78,-2.03,;-5.01,-.7,;-3.47,-.7,;-2.7,.64,;-1.16,.64,;-.25,1.88,;1.21,1.41,;2.55,2.18,;3.88,1.41,;3.88,-.13,;2.55,-.9,;2.55,-2.44,;3.88,-3.21,;5.21,-2.44,;6.55,-3.21,;6.55,-4.75,;8.09,-4.75,;7.88,-5.52,;5.21,-5.52,;3.88,-4.75,;1.21,-.13,;-.25,-.61,;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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