Reaction Details  Report a problem with these data
Target
Sodium- and chloride-dependent GABA transporter 1
Ligand
BDBM50039246
Substrate
n/a
Meas. Tech.
ChEMBL_1454196 (CHEMBL3363226)
IC50
>100000±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 GABA transporter 1
Synonyms:
GABA transporter 1 | GABATR | GABT1 | GAT-1 | GAT1 | SC6A1_HUMAN | SLC6A1 | Sodium- and chloride-dependent GABA transporter 1 | Solute carrier family 6 member 1
Type:
PROTEIN
Mol. Mass.:
67079.40
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1454196
Residue:
599
Sequence:
MATNGSKVADGQISTEVSEAPVANDKPKTLVVKVQKKAADLPDRDTWKGRFDFLMSCVGYAIGLGNVWRFPYLCGKNGGGAFLIPYFLTLIFAGVPLFLLECSLGQYTSIGGLGVWKLAPMFKGVGLAAAVLSFWLNIYYIVIISWAIYYLYNSFTTTLPWKQCDNPWNTDRCFSNYSMVNTTNMTSAVVEFWERNMHQMTDGLDKPGQIRWPLAITLAIAWILVYFCIWKGVGWTGKVVYFSATYPYIMLIILFFRGVTLPGAKEGILFYITPNFRKLSDSEVWLDAATQIFFSYGLGLGSLIALGSYNSFHNNVYRDSIIVCCINSCTSMFAGFVIFSIVGFMAHVTKRSIADVAASGPGLAFLAYPEAVTQLPISPLWAILFFSMLLMLGIDSQFCTVEGFITALVDEYPRLLRNRRELFIAAVCIISYLIGLSNITQGGIYVFKLFDYYSASGMSLLFLVFFECVSISWFYGVNRFYDNIQEMVGSRPCIWWKLCWSFFTPIIVAGVFIFSAVQMTPLTMGNYVFPKWGQGVGWLMALSSMVLIPGYMAYMFLTLKGSLKQRIQVMVQPSEDIVRPENGPEQPQAGSSTSKEAYI
  
Inhibitor
Name:
BDBM50039246
Synonyms:
(S)-1-(2-(tris(4-methoxyphenyl)methoxy)ethyl)piperidine-3-carboxylic acid | (S)-1-{2-[Tris-(4-methoxy-phenyl)-methoxy]-ethyl}-piperidine-3-carboxylic acid | CHEMBL75035
Type:
Small organic molecule
Emp. Form.:
C30H35NO6
Mol. Mass.:
505.602
SMILES:
COc1ccc(cc1)C(OCCN1CCC[C@@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: