Reaction Details Report a problem with these data
Target
Sodium- and chloride-dependent GABA transporter 1
Ligand
BDBM50591806
Substrate
n/a
Meas. Tech.
ChEMBL_2201759 (CHEMBL5114467)
Ki
14±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:
BDBM50591806
Synonyms:
CHEMBL5205864
Type:
Small organic molecule
Emp. Form.:
C22H25ClF2N2O3
Mol. Mass.:
438.895
SMILES:
Cl.OC(=O)C1CCCN(CCO\N=C(/Cc2ccc(F)cc2)c2ccc(F)cc2)C1
Structure:
Search PDB for entries with ligand similarity: