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Target
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Ligand
BDBM144417
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
8±n/a
IC50
0.27±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:
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Synonyms:
3',5'-cyclic phosphodiesterase | 3.1.4.17 | PDE10A | PDE10_HUMAN | Phosphodiesterase 10 (PDE10) | Phosphodiesterase 10A
Type:
Protein
Mol. Mass.:
88412.52
Organism:
Homo sapiens (Human)
Description:
Q9Y233
Residue:
1055
Sequence:
MASLEEPLAPRPQGPLPAAGDEPGCGPGKLRPEPRLSAAGGGSAAGPGPAPEWPGRGRAERAAPPRPPLSSAGRPSPAGGPGALSARGGGCGWVAARAPLALAFSSRVPSSSPSFFYFWPPPPPPPPSFLPSSSAFHLPVRLPGREGAAAAAAAGGGGDAGGGGGGGQEAAPLSVPTSSSHRGGGGSGGGRRRLFLSPALQGLLLPARAGPRPPPPPRLPLGQAARRAGSPGFPGAGPGGGGQTPRRPQGASFALAAAAALLFGSDMEDGPSNNASCFRRLTECFLSPSLTDEKVKAYLSLHPQVLDEFVSESVSAETVEKWLKRKNNKSEDESAPKEVSRYQDTNMQGVVYELNSYIEQRLDTGGDNQLLLYELSSIIKIATKADGFALYFLGECNNSLCIFTPPGIKEGKPRLIPAGPITQGTTVSAYVAKSRKTLLVEDILGDERFPRGTGLESGTRIQSVLCLPIVTAIGDLIGILELYRHWGKEAFCLSHQEVATANLAWASVAIHQVQVCRGLAKQTELNDFLLDVSKTYFDNIVAIDSLLEHIMIYAKNLVNADRCALFQVDHKNKELYSDLFDIGEEKEGKPVFKKTKEIRFSIEKGIAGQVARTGEVLNIPDAYADPRFNREVDLYTGYTTRNILCMPIVSRGSVIGVVQMVNKISGSAFSKTDENNFKMFAVFCALALHCANMYHRIRHSECIYRVTMEKLSYHSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED
  
Inhibitor
Name:
BDBM144417
Synonyms:
US8969376, 1.173
Type:
Small organic molecule
Emp. Form.:
C25H33N7O2
Mol. Mass.:
463.5752
SMILES:
Cc1nc2OCCCc2nc1-c1cc2nc(cc(N[C@H]3CC[C@](C)(O)CC3)n2n1)N1CCCC1 |r,wU:19.20,22.24,wD:22.25,(-2.7,3.97,;-3.47,2.64,;-5.01,2.64,;-5.78,1.3,;-7.32,1.3,;-8.09,-.03,;-7.32,-1.37,;-5.78,-1.37,;-5.01,-.03,;-3.47,-.03,;-2.7,1.3,;-1.16,1.3,;-.25,2.55,;1.21,2.07,;2.55,2.84,;3.88,2.07,;3.88,.53,;2.55,-.24,;2.55,-1.78,;3.88,-2.55,;5.21,-1.78,;6.55,-2.55,;6.55,-4.09,;7.88,-4.86,;8.09,-4.09,;5.21,-4.86,;3.88,-4.09,;1.21,.53,;-.25,.06,;5.21,2.84,;6.68,2.37,;7.58,3.61,;6.68,4.86,;5.21,4.38,)|
Structure:
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