Reaction Details
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Sodium- and chloride-dependent betaine transporter
Ligand
BDBM50080346
Substrate
n/a
Meas. Tech.
ChEMBL_206966 (CHEMBL817277)
IC50
82±n/a nM
Citation
Andersen, KE; Sørensen, JL; Lau, J; Lundt, BF; Petersen, H; Huusfeldt, PO; Suzdak, PD; Swedberg, MD Synthesis of novel gamma-aminobutyric acid (GABA) uptake inhibitors. 5.(1) Preparation and structure-activity studies of tricyclic analogues of known GABA uptake inhibitors. J Med Chem 44:2152-63 (2001) [PubMed] Article More Info.:
Target
Name:
Sodium- and chloride-dependent betaine transporter
Synonyms:
Na(+)/Cl(-) betaine/GABA transporter | S6A12_RAT | Slc6a12 | Sodium- and chloride-dependent betaine transporter | Solute carrier family 6 member 12
Type:
PROTEIN
Mol. Mass.:
69749.57
Organism:
Rattus norvegicus
Description:
ChEMBL_105007
Residue:
614
Sequence:
MDRKVTVHEDGCPVVSWVPEEGEMMDQKDKDQVKDRGQWTNKMEFVLSVAGEIIGLGNVWRFPYLCYKNGGGAFFIPYFIFFFSCGIPVFFLEVALGQYSSQGSVTAWRKICPLLQGIGMASVVIESYLNIYYIIILAWALFYLFSSFTWELPWTTCTNSWNTEHCVDFLNYSSTRAASYSENFTSPVMEFWERRVLGITSGIHDLGSLRWELALCLLLAWIICYFCIWKGVKSTGKVVYFTATFPYLMLIILLIRGVTLPGAYQGIVFYLKPDLLRLKDPQVWMDAGTQIFFSFAICQGCLTALGSYNKYHNNCYRDSIALCFLNSATSFVAGFVVFSILGFMAQEQGVPISEVAESGPGLAFIAFPKAVTMMPLSQLWSCLFFLMLLFLGLDSQFVCMECLVTASMDMFPQQLRKRGRRELLILAVAIVCYLMGLLLVTEGGMYIFQLFDYYASSGICLLFLSLFEVICIGWVYGADRFYDNVEDMIGYRPWPLVKISWLFLTPGLCLATFFFSLSKYTPLKYNNVYIYPSWGYSIGWLLAFSSMACVPLFIIITLLKTQGSFKKRLQRLITPDPSLPQPGRRSPQDGSSAQNCSTSPVKQELIAWEKETHL
Inhibitor
Name:
BDBM50080346
Synonyms:
(R)-1-(2-Benzhydrylideneaminooxy-ethyl)-piperidine-3-carboxylic acid; hydrochloride | 1-(2-Benzhydrylideneaminooxy-ethyl)-piperidine-3-carboxylic acid; hydrochloride | CHEMBL542642
Type:
Small organic molecule
Emp. Form.:
C21H24N2O3
Mol. Mass.:
352.4269
SMILES:
[#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#8]\[#7]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1
Structure:
