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Target
Sodium- and chloride-dependent betaine transporter
Ligand
BDBM50250304
Substrate
n/a
Meas. Tech.
ChEMBL_1681424 (CHEMBL4031701)
IC50
26000±n/a nM
Citation
 Jørgensen, L; Al-Khawaja, A; Kickinger, S; Vogensen, SB; Skovgaard-Petersen, J; Rosenthal, E; Borkar, N; Löffler, R; Madsen, KK; Bräuner-Osborne, H; Schousboe, A; Ecker, GF; Wellendorph, P; Clausen, 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:
BDBM50250304
Synonyms:
CHEMBL4077256
Type:
Small organic molecule
Emp. Form.:
C20H22Cl2N2O2
Mol. Mass.:
393.307
SMILES:
COc1cccc(CN2CCC(CC2)NC(=O)c2ccc(Cl)cc2Cl)c1
Structure:
Search PDB for entries with ligand similarity: