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Target
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Ligand
BDBM329579
Substrate
n/a
Meas. Tech.
Fluorescence Polarization Assay
Ki
0.010±n/a nM
Citation
 Kuduk, SD; McComas, CC; Reger, TS Pyrimidine PDE10 inhibitors US Patent  US9663513 Publication Date 5/30/2017 
Target
Name:
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Synonyms:
3',5'-cyclic phosphodiesterase | PDE10A | PDE10_HUMAN | Phosphodiesterase 10 (PDE10) | Phosphodiesterase 10A
Type:
Protein
Mol. Mass.:
88412.52
Organism:
Homo sapiens (Human)
Description:
Q9Y233
Residue:
779
Sequence:
MRIEERKSQHLTGLTDEKVKAYLSLHPQVLDEFVSESVSAETVEKWLKRKNNKSEDESAPKEVSRYQDTNMQGVVYELNSYIEQRLDTGGDNQLLLYELSSIIKIATKADGFALYFLGECNNSLCIFTPPGIKEGKPRLIPAGPITQGTTVSAYVAKSRKTLLVEDILGDERFPRGTGLESGTRIQSVLCLPIVTAIGDLIGILELYRHWGKEAFCLSHQEVATANLAWASVAIHQVQVCRGLAKQTELNDFLLDVSKTYFDNIVAIDSLLEHIMIYAKNLVNADRCALFQVDHKNKELYSDLFDIGEEKEGKPVFKKTKEIRFSIEKGIAGQVARTGEVLNIPDAYADPRFNREVDLYTGYTTRNILCMPIVSRGSVIGVVQMVNKISGSAFSKTDENNFKMFAVFCALALHCANMYHRIRHSECIYRVTMEKLSYHSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED
  
Inhibitor
Name:
BDBM329579
Synonyms:
Trans-4-(2-methyl-4- (((1S,2R)-2-(quinolin-2- yl)cyclopropyl)methoxy) pyrimidin-5- yl)cyclohexanol | US9663513, 192
Type:
Small organic molecule
Emp. Form.:
C24H27N3O2
Mol. Mass.:
389.4901
SMILES:
Cc1ncc([C@H]2CC[C@H](O)CC2)c(OC[C@H]2C[C@H]2c2ccc3ccccc3n2)n1 |r,wU:15.15,17.19,8.8,wD:5.4,(-4.46,7.75,;-3.13,6.98,;-1.79,7.75,;-.46,6.98,;-.46,5.44,;.87,4.67,;.87,3.13,;2.21,2.36,;3.54,3.13,;4.87,2.36,;3.54,4.67,;2.21,5.44,;-1.79,4.67,;-1.79,3.13,;-2.56,1.79,;-1.79,.46,;-.46,-.31,;-1.79,-1.08,;-2.56,-2.41,;-4.1,-2.41,;-4.87,-3.75,;-4.1,-5.08,;-4.87,-6.41,;-4.1,-7.75,;-2.56,-7.75,;-1.79,-6.41,;-2.56,-5.08,;-1.79,-3.75,;-3.13,5.44,)|
Structure:
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