Reaction Details Report a problem with these data
Target
Sodium- and chloride-dependent betaine transporter
Ligand
BDBM50210583
Substrate
n/a
Meas. Tech.
ChEMBL_1634812 (CHEMBL3877710)
IC50
61660±n/a nM
Citation
 Kerscher-Hack, S; Renukappa-Gutke, T; Höfner, G; Wanner, KT Synthesis and biological evaluation of a series of N-alkylated imidazole alkanoic acids as mGAT3 selective GABA uptake inhibitors. Eur J Med Chem 124:852-880 (2016) [PubMed]  Article 
Target
Name:
Sodium- and chloride-dependent betaine transporter
Synonyms:
GABA transporter | GABA transporter 2 | Gabt2 | Gat-2 | Gat2 | S6A12_MOUSE | Slc6a12
Type:
PROTEIN
Mol. Mass.:
69615.88
Organism:
Mus musculus
Description:
ChEMBL_1460088
Residue:
614
Sequence:
MDRKVAVHEDGYPVVSWVPEEGEMMDQKGKDQVKDRGQWTNKMEFVLSVAGEIIGLGNVWRFPYLCYKNGGGAFFIPYFIFFFSCGIPVFFLEVALGQYSSQGSVTAWRKICPLLQGIGMASVVIESYLNIYYIIILAWALFYLFSSFTWELPWTTCTNSWNTEHCVDFLNHSSARGVSSSENFTSPVMEFWERRVLGITSGIHDLGSLRWELALCLLLAWIICYFCIWKGVKSTGKVVYFTATFPYLMLIILLIRGVTLPGAYQGIVFYLKPDLLRLKDPQVWMDAGTQIFFSFAICQGCLTALGSYNKYHNNCYRDSIALCFLNSATSFVAGFVVFSILGFMSQEQGIPISEVAESGPGLAFIAFPKAVTMMPLSQLWSCLFFIMLLFLGLDSQFVCMECLVTASMDMFPQQLRKSGRRDVLILAISVLCYLMGLLLVTEGGMYIFQLFDYYASSGICLLFLSLFEVICIGWVYGADRFYDNVEDMIGYRPWPLVKISWLFLTPGLCLATFFFSLSKYTPLKYNNVYMYPSWGYSIGWLLAFSSMACVPLFIIITFLKTQGSFKKRLRRLITPDPSLPQPGRRPPQDGSSAQNCSSSPAKQELIAWEKETHL
  
Inhibitor
Name:
BDBM50210583
Synonyms:
CHEMBL3927994
Type:
Small organic molecule
Emp. Form.:
C30H30N2O4
Mol. Mass.:
482.5702
SMILES:
COc1ccc(cc1)C1(OCCCCCn2cnc(CC(O)=O)c2)c2ccccc2-c2ccccc12
Structure:
Search PDB for entries with ligand similarity: