Target
Sodium- and chloride-dependent betaine transporter
Ligand
BDBM50250257
Substrate
n/a
Meas. Tech.
ChEBML_1681424
IC50
39000±n/a nM
Citation
 Jørgensen, LAl-Khawaja, AKickinger, SVogensen, SBSkovgaard-Petersen, JRosenthal, EBorkar, NLöffler, RMadsen, KKBräuner-Osborne, HSchousboe, AEcker, GFWellendorph, PClausen, RP Structure-Activity Relationship, Pharmacological Characterization, and Molecular Modeling of Noncompetitive Inhibitors of the Betaine/?-Aminobutyric Acid Transporter 1 (BGT1). J Med Chem 60:8834-8846 (2017) [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:
BDBM50250257
Synonyms:
CHEMBL4096438
Type:
Small organic molecule
Emp. Form.:
C18H20ClN3O
Mol. Mass.:
329.824
SMILES:
Clc1ccncc1C(=O)NC1CCN(Cc2ccccc2)CC1
Structure:
Search PDB for entries with ligand similarity: