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Target
Sodium- and chloride-dependent betaine transporter
Ligand
BDBM50419338
Substrate
n/a
Meas. Tech.
ChEMBL_976652 (CHEMBL2417027)
IC50
5100±n/a nM
Citation
 Nakada, K; Yoshikawa, M; Ide, S; Suemasa, A; Kawamura, S; Kobayashi, T; Masuda, E; Ito, Y; Hayakawa, W; Katayama, T; Yamada, S; Arisawa, M; Minami, M; Shuto, S Cyclopropane-based conformational restriction of GABA by a stereochemical diversity-oriented strategy: identification of an efficient lead for potent inhibitors of GABA transports. Bioorg Med Chem 21:4938-50 (2013) [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:
Search PDB for entries with ligand similarity: