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Target
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Ligand
BDBM50357856
Substrate
n/a
Meas. Tech.
ChEMBL_787236 (CHEMBL1918958)
IC50
0.850000±n/a nM
Citation
 Malamas, MS; Ni, Y; Erdei, J; Stange, H; Schindler, R; Lankau, HJ; Grunwald, C; Fan, KY; Parris, K; Langen, B; Egerland, U; Hage, T; Marquis, KL; Grauer, S; Brennan, J; Navarra, R; Graf, R; Harrison, BL; Robichaud, A; Kronbach, T; Pangalos, MN; Hoefgen, N; Brandon, NJ Highly potent, selective, and orally active phosphodiesterase 10A inhibitors. J Med Chem 54:7621-38 (2011) [PubMed]  Article 
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:
BDBM50357856
Synonyms:
CHEMBL1916116
Type:
Small organic molecule
Emp. Form.:
C19H20FN5O
Mol. Mass.:
353.3934
SMILES:
COc1cc(F)cc2c1nc(C)c1c(C)nc(-c3c(C)nn(C)c3C)n21 |(13.56,-14.42,;12.23,-15.2,;12.23,-16.74,;10.9,-17.51,;10.9,-19.05,;9.57,-19.82,;12.23,-19.82,;13.56,-19.05,;13.57,-17.5,;14.9,-16.73,;16.24,-17.5,;17.57,-16.74,;16.24,-19.05,;17.38,-20.09,;18.89,-19.78,;16.75,-21.5,;15.21,-21.33,;14.29,-22.56,;14.74,-24.04,;16.2,-24.54,;13.48,-24.92,;12.25,-23.99,;10.78,-24.44,;12.75,-22.54,;11.87,-21.28,;14.9,-19.82,)|
Structure:
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