Reaction Details Report a problem with these data
Target
Sodium- and chloride-dependent glycine transporter 2
Ligand
BDBM50335011
Substrate
n/a
Meas. Tech.
ChEMBL_793788 (CHEMBL1932649)
IC50
3300±n/a nM
Citation
 Sugane, T; Tobe, T; Hamaguchi, W; Shimada, I; Maeno, K; Miyata, J; Suzuki, T; Kimizuka, T; Morita, T; Sakamoto, S; Tsukamoto, S Synthesis and biological evaluation of (4H-1,2,4-triazol-4-yl)isoquinoline derivatives as selective glycine transporter 1 inhibitors. Bioorg Med Chem 20:34-41 (2011) [PubMed]  Article 
Target
Name:
Sodium- and chloride-dependent glycine transporter 2
Synonyms:
Glycine transporter 2 | Glyt2 | SC6A5_RAT | Slc6a5
Type:
PROTEIN
Mol. Mass.:
87845.43
Organism:
Rattus norvegicus
Description:
ChEMBL_980598
Residue:
799
Sequence:
MDCSAPKEMNKPPTNILEATVPGHRDSPRAPRTSPEQDLPAAAPAAAVQPPRVPRSASTGAQTFQSADARACEAQRPGVGFCKLSSPQAQATSAALRDLSEGHSAQANPPSGAAGAGNALHCKIPALRGPEEDENVSVGKGTLEHNNTPAVGWVNMSQSTVVLGTDGIASVLPGSVATTTIPEDEQGDENKARGNWSSKLDFILSMVGYAVGLGNVWRFPYLAFQNGGGAFLIPYLMMLALAGLPIFFLEVSLGQFASQGPVSVWKAIPALQGCGIAMLIISVLIAIYYNVIICYTLFYLFASFVSVLPWGSCNNPWNTPECKDKTKLLLDSCVIGDHPKIQIKNSTFCMTAYPNLTMVNFTSQANKTFVSGSEEYFKYFVLKISAGIEYPGEIRWPLAFCLFLAWVIVYASLAKGIKTSGKVVYFTATFPYVVLVILLIRGVTLPGAGAGIWYFITPKWEKLTDATVWKDAATQIFFSLSAAWGGLITLSSYNKFHNNCYRDTLIVTCTNSATSIFAGFVIFSVIGFMANERKVNIENVADQGPGIAFVVYPEALTRLPLSPFWAIIFFLMLLTLGLDTMFATIETIVTSISDEFPKYLRTHKPVFTLGCCICFFIMGFPMITQGGIYMFQLVDTYAASYALVIIAIFELVGISYVYGLQRFCEDIEMMIGFQPNIFWKVCWAFVTPTILTFILCFSFYQWEPMTYGSYRYPNWSMVLGWLMLACSVIWIPIMFVIKMYLAPGRFIERLKLVCSPQPDWGPFLAQHRGERYKNMIDPLGTSSLGLKLPVKDLELGTQC
  
Inhibitor
Name:
BDBM50335011
Synonyms:
3-Biphenyl-4-yl-4-(2-fluorophenyl)-5-isopropyl-4H-1,2,4-triazole | CHEMBL1649975
Type:
Small organic molecule
Emp. Form.:
C23H20FN3
Mol. Mass.:
357.4234
SMILES:
CC(C)c1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1F |(2.67,-3.47,;1.87,-4.79,;2.6,-6.14,;.33,-4.75,;-.15,-3.28,;-1.69,-3.28,;-2.16,-4.74,;-3.49,-5.52,;-3.48,-7.06,;-4.81,-7.84,;-6.15,-7.07,;-6.16,-5.53,;-4.83,-4.76,;-7.47,-7.84,;-8.81,-7.08,;-10.14,-7.85,;-10.14,-9.39,;-8.8,-10.16,;-7.47,-9.39,;-.92,-5.65,;-.92,-7.18,;-2.26,-7.95,;-2.26,-9.49,;-.93,-10.26,;.41,-9.48,;.41,-7.95,;1.74,-7.18,)|
Structure:
Search PDB for entries with ligand similarity: