Reaction Details
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Sodium- and chloride-dependent glycine transporter 2
Ligand
BDBM50360092
Substrate
n/a
Meas. Tech.
ChEMBL_793788 (CHEMBL1932649)
IC50
4200±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 More Info.:
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:
BDBM50360092
Synonyms:
CHEMBL1928736
Type:
Small organic molecule
Emp. Form.:
C25H20N4
Mol. Mass.:
376.4531
SMILES:
CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc2ccncc12 |(2.75,-17.23,;2.02,-18.59,;.48,-18.63,;.01,-17.17,;-1.53,-17.17,;-2.01,-18.64,;-3.34,-19.4,;-4.67,-18.62,;-6.01,-19.38,;-6.01,-20.92,;-4.68,-21.7,;-3.34,-20.93,;-7.35,-21.68,;-8.68,-20.9,;-10.01,-21.67,;-10.02,-23.21,;-8.68,-23.98,;-7.35,-23.22,;-.76,-19.54,;-.76,-21.08,;-2.1,-21.85,;-2.1,-23.39,;-.76,-24.16,;.58,-23.38,;1.93,-24.14,;3.26,-23.35,;3.24,-21.8,;1.9,-21.05,;.57,-21.83,)|
Structure:
