Reaction Details Report a problem with these data
Target
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Ligand
BDBM206866
Substrate
n/a
Meas. Tech.
In Vitro Assay hPDE10a
IC50
7±n/a nM
Citation
 Player, MR; Meegalla, SK; Illig, CR; Chen, J; Wilson, KJ; Lee, Y; Parks, DJ; Huang, H; Patel, S; Lu, T PDE10a inhibitors for the treatment of type II diabetes US Patent  US9249163 Publication Date 2/2/2016 
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:
BDBM206866
Synonyms:
US9249163, 5
Type:
Small organic molecule
Emp. Form.:
C30H27N5O3
Mol. Mass.:
505.5671
SMILES:
OC(=O)c1ccc(cc1)-c1cnc(N2CCOCC2)c2nc(cn12)[C@H]1C[C@@H](C1)c1ccc2ccccc2n1 |r,wU:26.32,wD:24.27,(-8.49,-7.37,;-7.16,-6.6,;-5.83,-7.37,;-7.16,-5.06,;-8.49,-4.23,;-8.49,-2.69,;-7.16,-1.93,;-5.83,-2.69,;-5.83,-4.23,;-7.16,-.38,;-8.49,.38,;-8.49,1.93,;-7.16,2.69,;-7.16,4.23,;-5.83,5,;-5.83,6.54,;-7.16,7.31,;-8.49,6.54,;-8.49,5,;-5.83,1.93,;-4.36,2.4,;-3.46,1.15,;-4.36,-.09,;-5.83,.38,;-1.92,1.15,;-.83,.07,;.26,1.15,;-.83,2.24,;1.8,1.15,;2.57,-.18,;4.11,-.18,;4.88,1.15,;6.42,1.15,;7.19,2.49,;6.42,3.82,;4.88,3.82,;4.11,2.49,;2.57,2.49,)|
Structure:
Search PDB for entries with ligand similarity: