Reaction Details
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cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Ligand
BDBM50021256
Substrate
n/a
Meas. Tech.
ChEMBL_1366276 (CHEMBL3297609)
IC50
2.2±n/a nM
Citation
Hu, E; Andrews, K; Chmait, S; Zhao, X; Davis, C; Miller, S; Hill Della Puppa, G; Dovlatyan, M; Chen, H; Lester-Zeiner, D; Able, J; Biorn, C; Ma, J; Shi, J; Treanor, J; Allen, JR Discovery of Novel Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A). ACS Med Chem Lett 5:700-5 (2014) [PubMed] Article More Info.:
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:
BDBM50021256
Synonyms:
CHEMBL3287905
Type:
Small organic molecule
Emp. Form.:
C18H17N5OS
Mol. Mass.:
351.425
SMILES:
COc1nc2cccnc2n1C1CC(C1)Nc1nc2ccccc2s1 |(18.03,-39.73,;18.8,-41.06,;18.02,-42.4,;16.49,-42.56,;16.16,-44.07,;14.83,-44.84,;14.83,-46.38,;16.17,-47.16,;17.51,-46.38,;17.5,-44.84,;18.65,-43.81,;20.15,-44.12,;21,-45.41,;22.28,-44.57,;21.44,-43.28,;23.79,-44.88,;24.82,-43.74,;24.51,-42.22,;25.84,-41.45,;26.15,-39.95,;27.61,-39.47,;28.76,-40.5,;28.44,-42.01,;26.98,-42.48,;26.36,-43.89,)|
Structure:
