Ki Summary

Reaction Details

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Target

G-protein coupled receptor 39

Ligand

BDBM50030790

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1438500 (CHEMBL3384904)

EC50

4.0±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 Lett5:1114-8 (2014) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

G-protein coupled receptor 39

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:

MASSSGSNHICSRVIDHSHVPEFEVATWIKITLILVYLIIFVVGILGNSVTIRVTQVLQK
KGYLQKEVTDHMVSLACSDILVFLIGMPMEFYSIIWNPLTTPSYALSCKLHTFLFETCSY
ATLLHVLTLSFERYIAICHPFKYKAVSGPRQVKLLIGFVWVTSALVALPLLFAMGIEYPL
VNVPTHKGLNCNLSRTRHHDEPGNSNMSICTNLSNRWEVFQSSIFGAFAVYLVVLASVAF
MCWNMMKVLMKSKQGTLAGTGPQLQLRKSESEESRTARRQTIIFLRLIVVTLAVCWMPNQ
IRRIMAAAKPKHDWTRTYFRAYMILLPFSDTFFYLSSVVNPLLYNVSSQQFRKVFWQVLC
CRLTLQHANQEKRQRARFISTKDSTSSARSPLIFLASRRSNSSSRRTNKVFLSTFQTEAK
PGEAKPQPLSPESPQTGSETKPAGSTTENSLQEQEV

BDBM50030790

n/a

Name

BDBM50030790

Synonyms:

CHEMBL3342357

Type

Small organic molecule

Emp. Form.

C26H31FN6O2S

Mol. Mass.

510.627

SMILES

Fc1cccc(c1)S(=O)(=O)NC[C@H]1CC[C@H](CNc2nc(NC3CC3)cc(n2)-c2ccccn2)CC1 |r,wU:12.12,wD:15.16,(2.07,-15.15,;3.4,-14.39,;3.41,-12.84,;4.74,-12.07,;6.07,-12.85,;6.06,-14.39,;4.73,-15.15,;7.38,-15.16,;8.14,-16.49,;6.61,-16.48,;8.72,-14.4,;10.05,-15.18,;11.39,-14.41,;11.4,-12.87,;12.73,-12.11,;14.06,-12.88,;15.4,-12.11,;16.73,-12.89,;18.06,-12.12,;19.4,-12.89,;20.74,-12.11,;22.07,-12.88,;23.4,-12.1,;24.94,-12.09,;24.16,-10.76,;20.73,-10.57,;19.4,-9.81,;18.06,-10.58,;19.4,-8.27,;18.06,-7.5,;18.07,-5.96,;19.39,-5.19,;20.73,-5.95,;20.74,-7.5,;14.07,-14.42,;12.72,-15.19,)|

Structure