Reaction Details Report a problem with these data
Target
Sodium- and chloride-dependent GABA transporter 3
Ligand
BDBM50343258
Substrate
n/a
Meas. Tech.
ChEMBL_941199 (CHEMBL2329710)
IC50
>300000±n/a nM
Citation
 Vogensen, SB; Jørgensen, L; Madsen, KK; Borkar, N; Wellendorph, P; Skovgaard-Petersen, J; Schousboe, A; White, HS; Krogsgaard-Larsen, P; Clausen, RP Selective mGAT2 (BGT-1) GABA uptake inhibitors: design, synthesis, and pharmacological characterization. J Med Chem 56:2160-4 (2013) [PubMed]  Article 
Target
Name:
Sodium- and chloride-dependent GABA transporter 3
Synonyms:
GABA transporter | GAT-3 | Gabt3 | Gabt4 | Gat-4 | Gat3 | Gat4 | S6A11_MOUSE | Slc6a11 | Sodium- and chloride-dependent GABA transporter 3 | Sodium- and chloride-dependent GABA transporter 4 | Solute carrier family 6 member 11
Type:
PROTEIN
Mol. Mass.:
69962.73
Organism:
Mus musculus
Description:
ChEMBL_1460090
Residue:
627
Sequence:
MTAEQALPLGNGKAAEEARGSETLGGGGGGAAGTREARDKAVHERGHWNNKVEFVLSVAGEIIGLGNVWRFPYLCYKNGGGAFLIPYVVFFICCGIPVFFLETALGQFTSEGGITCWRRVCPLFEGIGYATQVIEAHLNVYYIIILAWAIFYLSNCFTTELPWATCGHEWNTEKCVEFQKLNFSNYSHVSLQNATSPVMEFWERRVLAISDGIEHIGNLRWELALCLLAAWTICYFCIWKGTKSTGKVVYVTATFPYIMLLILLIRGVTLPGASEGIKFYLYPDLSRLSDPQVWVDAGTQIFFSYAICLGCLTALGSYNNYNNNCYRDCIMLCCLNSGTSFVAGFAIFSVLGFMAYEQGVPIAEVAESGPGLAFIAYPKAVTMMPLSPLWATLFFMMLIFLGLDSQFVCVESLVTAVVDMYPKVFRRGYRRELLILALSIISYFLGLVMLTEGGMYIFQLFDSYAASGMCLLFVAIFECVCIGWVYGSNRFYDNIEDMIGYRPLSLIKWCWKVVTPGICAGIFIFFLVKYKPLKYNNVYTYPAWGYGIGWLMALSSMLCIPLWIFIKLWKTEGTLPEKLQKLTVPSADLKMRGKLGASPRTVTVNDCEAKVKGDGTISAITEKETHF
  
Inhibitor
Name:
BDBM50343258
Synonyms:
4-((4,4-bis(3-methylthiophen-2-yl)but-3-enyl)(methyl)amino)-4,5,6,7-tetrahydrobenzo[d]isoxazol-3-ol | CHEMBL1773934
Type:
Small organic molecule
Emp. Form.:
C22H26N2O2S2
Mol. Mass.:
414.584
SMILES:
CN(CCC=C(c1sccc1C)c1sccc1C)C1CCCc2o[nH]c(=O)c12 |(14.45,-29.58,;13.12,-28.81,;11.79,-29.58,;11.79,-31.12,;10.46,-31.89,;10.46,-33.43,;9.2,-34.32,;7.74,-33.83,;6.83,-35.07,;7.71,-36.32,;9.18,-35.86,;10.42,-36.78,;11.86,-34.07,;12.17,-35.57,;13.69,-35.75,;14.34,-34.35,;13.2,-33.31,;13.38,-31.78,;13.12,-27.27,;14.45,-26.5,;14.45,-24.97,;13.12,-24.2,;11.77,-24.97,;10.3,-24.49,;9.4,-25.74,;10.31,-26.99,;9.83,-28.46,;11.78,-26.51,)|
Structure:
Search PDB for entries with ligand similarity: