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Target
Sodium- and chloride-dependent GABA transporter 1
Ligand
BDBM50591807
Substrate
n/a
Meas. Tech.
ChEMBL_2201769 (CHEMBL5114477)
Ki
8.9±n/a nM
Citation
 Singh, K; Kumar, P; Bhatia, R; Mehta, V; Kumar, B; Akhtar, MJ Nipecotic acid as potential lead molecule for the development of GABA uptake inhibitors; structural insights and design strategies. Eur J Med Chem 234:0 (2022) [PubMed] 
Target
Name:
Sodium- and chloride-dependent GABA transporter 1
Synonyms:
GABA transporter | Gabt1 | Gat-1 | Gat1 | SC6A1_RAT | Slc6a1 | Solute carrier family 6 member 1
Type:
PROTEIN
Mol. Mass.:
67006.26
Organism:
Rattus norvegicus
Description:
ChEMBL_1472611
Residue:
599
Sequence:
MATDNSKVADGQISTEVSEAPVASDKPKTLVVKVQKKAGDLPDRDTWKGRFDFLMSCVGYAIGLGNVWRFPYLCGKNGGGAFLIPYFLTLIFAGVPLFLLECSLGQYTSIGGLGVWKLAPMFKGVGLAAAVLSFWLNIYYIVIISWAIYYLYNSFTTTLPWKQCDNPWNTDRCFSNYSLVNTTNMTSAVVEFWERNMHQMTDGLDKPGQIRWPLAITLAIAWVLVYFCIWKGVGWTGKVVYFSATYPYIMLIILFFRGVTLPGAKEGILFYITPNFRKLSDSEVWLDAATQIFFSYGLGLGSLIALGSYNSFHNNVYRDSIIVCCINSCTSMFAGFVIFSIVGFMAHVTKRSIADVAASGPGLAFLAYPEAVTQLPISPLWAILFFSMLLMLGIDSQFCTVEGFITALVDEYPRLLRNRRELFIAAVCIVSYLIGLSNITQGGIYVFKLFDYYSASGMSLLFLVFFECVSISWFYGVNRFYDNIQEMVGSRPCIWWKLCWSFFTPIIVAGVFLFSAVQMTPLTMGSYVFPKWGQGVGWLMALSSMVLIPGYMAYMFLTLKGSLKQRLQVMIQPSEDIVRPENGPEQPQAGSSASKEAYI
  
Inhibitor
Name:
BDBM50591807
Synonyms:
CHEMBL5178760
Type:
Small organic molecule
Emp. Form.:
C22H23Cl2NO2
Mol. Mass.:
404.33
SMILES:
OC(=O)C1CCCN(CC\C=C\c2ccccc2-c2ccc(Cl)cc2Cl)C1
Structure:
Search PDB for entries with ligand similarity: