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Target
Sodium- and chloride-dependent betaine transporter
Ligand
BDBM50473321
Substrate
n/a
Meas. Tech.
ChEMBL_206966 (CHEMBL817277)
IC50
105±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 
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:
BDBM50473321
Synonyms:
CHEMBL563076
Type:
Small organic molecule
Emp. Form.:
C23H26ClF3N2O3S
Mol. Mass.:
502.977
SMILES:
Cl.OC(=O)[C@@H]1CCCN(CCOCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)C1 |r|
Structure:
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