Reaction Details Report a problem with these data
Target
Sodium- and chloride-dependent betaine transporter
Ligand
BDBM50007525
Substrate
n/a
Meas. Tech.
ChEBML_1681420
IC50
91000±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:
Betaine transporter | S6A12_HUMAN | SLC6A12
Type:
PROTEIN
Mol. Mass.:
69366.52
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1454199
Residue:
614
Sequence:
MDGKVAVQECGPPAVSWVPEEGEKLDQEDEDQVKDRGQWTNKMEFVLSVAGEIIGLGNVWRFPYLCYKNGGGAFFIPYFIFFFVCGIPVFFLEVALGQYTSQGSVTAWRKICPLFQGIGLASVVIESYLNVYYIIILAWALFYLFSSFTSELPWTTCNNFWNTEHCTDFLNHSGAGTVTPFENFTSPVMEFWERRVLGITSGIHDLGSLRWELALCLLLAWVICYFCIWKGVKSTGKVVYFTATFPYLMLVILLIRGVTLPGAYQGIIYYLKPDLFRLKDPQVWMDAGTQIFFSFAICQGCLTALGSYNKYHNNCYKDCIALCFLNSATSFVAGFVVFSILGFMSQEQGVPISEVAESGPGLAFIAFPKAVTMMPLSQLWSCLFFIMLIFLGLDSQFVCVECLVTASIDMFPRQLRKSGRRELLILTIAVMCYLIGLFLVTEGGMYIFQLFDYYASSGICLLFLSLFEVVCISWVYGADRFYDNIEDMIGYRPWPLVKISWLFLTPGLCLATFLFSLSKYTPLKYNNVYVYPPWGYSIGWFLALSSMVCVPLFVVITLLKTRGPFRKRLRQLITPDSSLPQPKQHPCLDGSAGRNFGPSPTREGLIAGEKETHL
  
Inhibitor
Name:
BDBM50007525
Synonyms:
CHEMBL123282 | N-(1-Benzyl-piperidin-4-yl)-2,3-dimethoxy-benzamide
Type:
Small organic molecule
Emp. Form.:
C21H26N2O3
Mol. Mass.:
354.4427
SMILES:
COc1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1OC
Structure:
Search PDB for entries with ligand similarity: