Reaction Details Report a problem with these data
Target
Sodium- and chloride-dependent GABA transporter 1
Ligand
BDBM50510627
Substrate
n/a
Meas. Tech.
ChEMBL_1841901 (CHEMBL4342200)
IC50
1905±n/a nM
Citation
 Huber, SK; Höfner, G; Wanner, KT Application of the concept of oxime library screening by mass spectrometry (MS) binding assays to pyrrolidine-3-carboxylic acid derivatives as potential inhibitors of ?-aminobutyric acid transporter 1 (GAT1). Bioorg Med Chem 27:2753-2763 (2019) [PubMed]  Article 
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:
BDBM50510627
Synonyms:
CHEMBL4587609
Type:
Small organic molecule
Emp. Form.:
C21H24ClFN2O4
Mol. Mass.:
422.878
SMILES:
Cl.COc1cccc(F)c1-c1ccccc1\C=N\OCCN1CCC(C1)C(O)=O |(9.83,-32.62,;4.33,-34.64,;5.66,-35.41,;5.66,-36.95,;4.33,-37.72,;4.33,-39.26,;5.67,-40.03,;7,-39.26,;8.33,-40.03,;6.99,-37.73,;8.33,-36.96,;9.66,-37.73,;11,-36.96,;10.99,-35.41,;9.66,-34.64,;8.33,-35.41,;6.99,-34.64,;6.99,-33.1,;5.66,-32.33,;5.66,-30.79,;4.33,-30.02,;4.32,-28.48,;3.08,-27.59,;3.56,-26.12,;5.1,-26.12,;5.57,-27.58,;5.87,-24.79,;7.41,-24.79,;5.1,-23.45,)|
Structure:
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