Reaction Details
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Sodium- and chloride-dependent GABA transporter 2
Ligand
BDBM50563998
Substrate
n/a
Meas. Tech.
ChEMBL_2086296 (CHEMBL4767559)
IC50
4467±n/a nM
Citation
Zar?ba, P; Gryz?o, B; Malawska, K; Sa?at, K; Höfner, GC; Nowaczyk, A; Fija?kowski, ?; Rapacz, A; Podkowa, A; Furga?a, A; ?mudzki, P; Wanner, KT; Malawska, B; Kulig, K Novel mouse GABA uptake inhibitors with enhanced inhibitory activity toward mGAT3/4 and their effect on pain threshold in mice. Eur J Med Chem 188:0 (2020) [PubMed] Article More Info.:
Target
Name:
Sodium- and chloride-dependent GABA transporter 2
Synonyms:
GABA transporter | GABA transporter 3 | Gabt2 | Gabt3 | Gat-3 | Gat2 | Gat3 | S6A13_MOUSE | Slc6a13
Type:
PROTEIN
Mol. Mass.:
68283.40
Organism:
Mouse
Description:
ChEMBL_1460089
Residue:
602
Sequence:
MENRASGTTSNGETKPVCPAMEKVEEDGTLEREHWNNKMEFVLSVAGEIIGLGNVWRFPYLCYKNGGGAFFIPYLIFLFTCGIPVFFLETALGQYTNQGGITAWRRICPIFEGIGYASQMIVSLLNVYYIVVLAWALFYLFSSFTTDLPWGSCSHEWNTENCVEFQKANDSMNVTSENATSPVIEFWERRVLKLSDGIQHLGSLRWELVLCLLLAWIICYFCIWKGVKSTGKVVYFTATFPYLMLVVLLIRGVTLPGAAQGIQFYLYPNITRLWDPQVWMDAGTQIFFSFAICLGCLTALGSYNKYHNNCYRDCIALCILNSSTSFMAGFAIFSILGFMSQEQGVPISEVAESGPGLAFIAYPRAVVMLPFSPLWACCFFFMVVLLGLDSQFVCVESLVTALVDMYPRVFRKKNRREVLILIVSVISFFIGLIMLTEGGMYVFQLFDYYAASGMCLLFVAIFESLCVAWVYGAGRFYDNIEDMIGYKPWPLIKYCWLFFTPAVCLATFLFSLIKYTPLTYNKKYTYPWWGDALGWLLALSSMICIPAWSIYKLRTLKGPLRERLRQLVCPAEDLPQKNQPEPTAPATPMTSLLRLTELESNC
Inhibitor
Name:
BDBM50563998
Synonyms:
CHEMBL4781266
Type:
Small organic molecule
Emp. Form.:
C28H34ClN3O2S2
Mol. Mass.:
544.171
SMILES:
[#6]-[#7](-[#6]-[#6]\[#6]=[#6](\c1sccc1-[#6])-c1sccc1-[#6])-[#6](-[#6]-[#6]-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6]-c1ccccc1Cl
Structure:
