Target
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Ligand
BDBM144724
Substrate
n/a
Meas. Tech.
IMAP TR-FRET Assay
Temperature
298.15±n/a K
IC50
106±n/a nM
Comments
extracted
Citation
 Allen, JRFrohn, MJHarrington, PEHu, EPickrell, AJRzasa, RMSham, KK Heteroaryloxycarbocyclyl compounds as PDE10 inhibitors US Patent  US8952037 Publication Date 2/10/2015 
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:
BDBM144724
Synonyms:
US8952037, 108
Type:
Small organic molecule
Emp. Form.:
C20H22F3N3O2
Mol. Mass.:
393.4028
SMILES:
FC(F)(F)c1ccc(N[C@H]2C[C@@H](C2)Oc2ncccc2C2CCOCC2)nc1 |r,wU:11.13,wD:9.8,(7.66,6.06,;6.33,5.29,;7.1,3.95,;5.56,6.62,;4.99,4.52,;4.94,2.95,;3.61,2.18,;2.28,2.95,;.94,2.18,;-.39,2.95,;-.79,4.44,;-2.28,4.04,;-1.88,2.55,;-3.61,4.81,;-4.94,4.04,;-4.94,2.5,;-6.28,1.73,;-7.61,2.5,;-7.61,4.04,;-6.28,4.81,;-6.28,6.35,;-4.94,7.12,;-4.94,8.66,;-6.28,9.43,;-7.61,8.66,;-7.61,7.12,;2.28,4.49,;3.61,5.26,)|
Structure:
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