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Target
Sodium- and chloride-dependent betaine transporter
Ligand
BDBM50419338
Substrate
n/a
Meas. Tech.
ChEMBL_1454199 (CHEMBL3363499)
IC50
5100±n/a nM
Citation
 Kobayashi, T; Suemasa, A; Igawa, A; Ide, S; Fukuda, H; Abe, H; Arisawa, M; Minami, M; Shuto, S Conformationally Restricted GABA with Bicyclo[3.1.0]hexane Backbone as the First Highly Selective BGT-1 Inhibitor. ACS Med Chem Lett 5:889-93 (2014) [PubMed]  Article 
Target
Name:
Sodium- and chloride-dependent betaine transporter
Synonyms:
Betaine transporter | S6A12_HUMAN | SLC6A12
Type:
PROTEIN
Mol. Mass.:
69366.52
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1454199
Residue:
614
Sequence:
MDGKVAVQECGPPAVSWVPEEGEKLDQEDEDQVKDRGQWTNKMEFVLSVAGEIIGLGNVWRFPYLCYKNGGGAFFIPYFIFFFVCGIPVFFLEVALGQYTSQGSVTAWRKICPLFQGIGLASVVIESYLNVYYIIILAWALFYLFSSFTSELPWTTCNNFWNTEHCTDFLNHSGAGTVTPFENFTSPVMEFWERRVLGITSGIHDLGSLRWELALCLLLAWVICYFCIWKGVKSTGKVVYFTATFPYLMLVILLIRGVTLPGAYQGIIYYLKPDLFRLKDPQVWMDAGTQIFFSFAICQGCLTALGSYNKYHNNCYKDCIALCFLNSATSFVAGFVVFSILGFMSQEQGVPISEVAESGPGLAFIAFPKAVTMMPLSQLWSCLFFIMLIFLGLDSQFVCVECLVTASIDMFPRQLRKSGRRELLILTIAVMCYLIGLFLVTEGGMYIFQLFDYYASSGICLLFLSLFEVVCISWVYGADRFYDNIEDMIGYRPWPLVKISWLFLTPGLCLATFLFSLSKYTPLKYNNVYVYPPWGYSIGWFLALSSMVCVPLFVVITLLKTRGPFRKRLRQLITPDSSLPQPKQHPCLDGSAGRNFGPSPTREGLIAGEKETHL
  
Inhibitor
Name:
BDBM50419338
Synonyms:
CHEMBL1446457
Type:
Small organic molecule
Emp. Form.:
C27H30N2O2
Mol. Mass.:
414.5393
SMILES:
COc1ccccc1C1(O)CCN(CCCn2c3ccccc3c3ccccc23)CC1
Structure:
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