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Target
Sodium- and chloride-dependent betaine transporter
Ligand
BDBM50039251
Substrate
n/a
Meas. Tech.
ChEMBL_941200 (CHEMBL2329711)
IC50
300000±n/a nM
Citation
 Vogensen, SB; Jørgensen, L; Madsen, KK; Borkar, N; Wellendorph, P; Skovgaard-Petersen, J; Schousboe, A; White, HS; Krogsgaard-Larsen, P; Clausen, RP Selective mGAT2 (BGT-1) GABA uptake inhibitors: design, synthesis, and pharmacological characterization. J Med Chem 56:2160-4 (2013) [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:
BDBM50039251
Synonyms:
(R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)piperidine-3-carboxylic acid hydrochloride | (R)-1-[4,4-Bis-(3-methyl-thiophen-2-yl)-but-3-enyl]-piperidine-3-carboxylic acid | (R)-1-[4,4-Bis-(3-methyl-thiophen-2-yl)-but-3-enyl]-piperidine-3-carboxylic acid; hydrochloride | (S)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)piperidine-3-carboxylic acid | 1-[4,4-Bis-(3-methyl-4,5-dihydro-thiophen-2-yl)-but-3-enyl]-piperidine-3-carboxylic acid | 1-[4,4-Bis-(3-methyl-thiophen-2-yl)-but-3-enyl]-piperidine-3-carboxylic acid; hydrochloride | A-70569-1 | ABBOTT-70569 | ABBOTT-70569-1 | ABT-569 | CHEMBL1027 | Gabitril | NNC-05-0328 | NO-05-0328 | TIAGABINE | Tiagabine hydrochloride
Type:
Small organic molecule
Emp. Form.:
C20H25NO2S2
Mol. Mass.:
375.548
SMILES:
[#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6] |r|
Structure:
Search PDB for entries with ligand similarity: