Brief Information of the Compound and Protein
Compound Name
(2RS)-2-Amino-2-{(2RS)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]-pyrrolidine-2-yl}aceticacid ditrifluoroaceticacid
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PubChem ID
CID: 118727511
Canonical SMILES
Cc1ccsc1C(=CCCN1CCC[C@@H]1[C@@H](N)C(=O)O)c1sccc1C.O=C(O)C(F)(F)F
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Compound Formula C22H27F3N2O4S2
Compound Structure
Protein Name
Sodium- and chloride-dependent GABA transporter 1
Protein Classification
Transporter
>
Electrochemical transporter
>
SLC superfamily of solute carriers
>
SLC06 neurotransmitter transporter family
Uniprot ID
P31648
Gene Name
SLC6A1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 14125.38 nM
   TI
   LI
   LO
   TS
2
Ki = 17378.01 nM
   TI
   LI
   LO
   TS