Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Sodium- and chloride-dependent glycine transporter 2
Ligand
BDBM50439743
Substrate
n/a
Meas. Tech.
ChEMBL_980598 (CHEMBL2423115)
IC50
340±n/a nM
Citation
Sugane, T; Tobe, T; Hamaguchi, W; Shimada, I; Maeno, K; Miyata, J; Suzuki, T; Kimizuka, T; Sakamoto, S; Tsukamoto, S Atropisomeric 4-phenyl-4H-1,2,4-triazoles as selective glycine transporter 1 inhibitors. J Med Chem 56:5744-56 (2014) [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:
BDBM50439743
Synonyms:
CHEMBL2419425
Type:
Small organic molecule
Emp. Form.:
C23H22N4
Mol. Mass.:
354.4476
SMILES:
CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(N)c1C |(37.67,-16.43,;36.4,-17.3,;35.01,-16.63,;34.53,-15.17,;32.99,-15.17,;32.52,-16.64,;31.19,-17.4,;29.86,-16.61,;28.53,-17.37,;28.51,-18.92,;29.85,-19.69,;31.18,-18.93,;27.18,-19.68,;25.85,-18.9,;24.51,-19.66,;24.5,-21.2,;25.84,-21.98,;27.17,-21.21,;33.77,-17.54,;33.77,-19.08,;32.45,-19.85,;32.44,-21.39,;33.78,-22.16,;35.12,-21.39,;36.45,-22.16,;35.11,-19.84,;36.44,-19.07,)|
Structure:
