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Target
G-protein coupled receptor 39
Ligand
BDBM50030789
Substrate
n/a
Meas. Tech.
ChEMBL_1438500 (CHEMBL3384904)
EC50
3.0±n/a nM
Citation
 Peukert, S; Hughes, R; Nunez, J; He, G; Yan, Z; Jain, R; Llamas, L; Luchansky, S; Carlson, A; Liang, G; Kunjathoor, V; Pietropaolo, M; Shapiro, J; Castellana, A; Wu, X; Bose, A Discovery of 2-Pyridylpyrimidines as the First Orally Bioavailable GPR39 Agonists. ACS Med Chem Lett 5:1114-8 (2014) [PubMed]  Article 
Target
Name:
G-protein coupled receptor 39
Synonyms:
G-protein coupled receptor 39 | GPR39_MOUSE | Gpr39
Type:
PROTEIN
Mol. Mass.:
51615.79
Organism:
Mus musculus
Description:
ChEMBL_109498
Residue:
456
Sequence:
MASSSGSNHICSRVIDHSHVPEFEVATWIKITLILVYLIIFVVGILGNSVTIRVTQVLQKKGYLQKEVTDHMVSLACSDILVFLIGMPMEFYSIIWNPLTTPSYALSCKLHTFLFETCSYATLLHVLTLSFERYIAICHPFKYKAVSGPRQVKLLIGFVWVTSALVALPLLFAMGIEYPLVNVPTHKGLNCNLSRTRHHDEPGNSNMSICTNLSNRWEVFQSSIFGAFAVYLVVLASVAFMCWNMMKVLMKSKQGTLAGTGPQLQLRKSESEESRTARRQTIIFLRLIVVTLAVCWMPNQIRRIMAAAKPKHDWTRTYFRAYMILLPFSDTFFYLSSVVNPLLYNVSSQQFRKVFWQVLCCRLTLQHANQEKRQRARFISTKDSTSSARSPLIFLASRRSNSSSRRTNKVFLSTFQTEAKPGEAKPQPLSPESPQTGSETKPAGSTTENSLQEQEV
  
Inhibitor
Name:
BDBM50030789
Synonyms:
CHEMBL3341764
Type:
Small organic molecule
Emp. Form.:
C26H31FN6O2S
Mol. Mass.:
510.627
SMILES:
Fc1cccc(c1)S(=O)(=O)NC[C@H]1CC[C@H](CNc2cc(nc(NC3CC3)n2)-c2ccccn2)CC1 |r,wU:12.12,wD:15.16,(-.16,-17.24,;1.18,-16.47,;1.18,-14.92,;2.52,-14.16,;3.85,-14.93,;3.83,-16.48,;2.51,-17.24,;5.16,-17.24,;5.92,-18.57,;4.39,-18.57,;6.5,-16.49,;7.83,-17.26,;9.17,-16.5,;9.18,-14.96,;10.51,-14.2,;11.84,-14.97,;13.17,-14.2,;14.5,-14.97,;15.84,-14.2,;15.84,-12.66,;17.18,-11.89,;18.51,-12.66,;18.51,-14.19,;19.85,-14.96,;21.18,-14.19,;22.71,-14.17,;21.94,-12.84,;17.17,-14.97,;17.17,-10.36,;15.84,-9.59,;15.84,-8.04,;17.17,-7.27,;18.51,-8.04,;18.51,-9.59,;11.84,-16.51,;10.5,-17.27,)|
Structure:
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