Reaction Details Report a problem with these data
Target
Sodium- and chloride-dependent glycine transporter 1
Ligand
BDBM50391752
Substrate
n/a
Meas. Tech.
ChEMBL_849525 (CHEMBL2149632)
IC50
132±n/a nM
Citation
Blackaby, WP; Lewis, RT; Thomson, JL; Jennings, AS; Goodacre, SC; Street, LJ; MacLeod, AM; Pike, A; Wood, S; Thomas, S; Brown, TA; Smith, A; Pillai, G; Almond, S; Guscott, MR; Burns, HD; Eng, W; Ryan, C; Cook, J; Hamill, TG Identification of an Orally Bioavailable, Potent, and Selective Inhibitor of GlyT1. ACS Med Chem Lett 1:350-354 (2010) [PubMed] Article
More Info.:
Target
Name:
Sodium- and chloride-dependent glycine transporter 1
Synonyms:
GlyT-1 | GlyT1 | Glycine Transporters (GlyT1c) | Glycine transporter 1 | SC6A9_HUMAN | SLC6A9 | Sodium- and chloride-dependent glycine transporter 1 | Sodium- and chloride-dependent glycine transporter 1 (GlyT1) | Sodium- and chloride-dependent glycine transporter 1 (GlyT1c) | Sodium-and chloride-dependent glycine transporter 1 (GlyT-1c) | Solute carrier family 6 member 9
Type:
Enzyme
Mol. Mass.:
78270.54
Organism:
Homo sapiens (Human)
Description:
P48067
Residue:
706
Sequence:
MSGGDTRAAIARPRMAAAHGPVAPSSPEQVTLLPVQRSFFLPPFSGATPSTSLAESVLKVWHGAYNSGLLPQLMAQHSLAMAQNGAVPSEATKRDQNLKRGNWGNQIEFVLTSVGYAVGLGNVWRFPYLCYRNGGGAFMFPYFIMLIFCGIPLFFMELSFGQFASQGCLGVWRISPMFKGVGYGMMVVSTYIGIYYNVVICIAFYYFFSSMTHVLPWAYCNNPWNTHDCAGVLDASNLTNGSRPAALPSNLSHLLNHSLQRTSPSEEYWRLYVLKLSDDIGNFGEVRLPLLGCLGVSWLVVFLCLIRGVKSSGKVVYFTATFPYVVLTILFVRGVTLEGAFDGIMYYLTPQWDKILEAKVWGDAASQIFYSLGCAWGGLITMASYNKFHNNCYRDSVIISITNCATSVYAGFVIFSILGFMANHLGVDVSRVADHGPGLAFVAYPEALTLLPISPLWSLLFFFMLILLGLGTQFCLLETLVTAIVDEVGNEWILQKKTYVTLGVAVAGFLLGIPLTSQAGIYWLLLMDNYAASFSLVVISCIMCVAIMYIYGHRNYFQDIQMMLGFPPPLFFQICWRFVSPAIIFFILVFTVIQYQPITYNHYQYPGWAVAIGFLMALSSVLCIPLYAMFRLCRTDGDTLLQRLKNATKPSRDWGPALLEHRTGRYAPTIAPSPEDGFEVQPLHPDKAQIPIVGSNGSSRLQDSRI
Inhibitor
Name:
BDBM50391752
Synonyms:
CHEMBL2146716
Type:
Small organic molecule
Emp. Form.:
C20H27Cl2NO3S
Mol. Mass.:
432.404
SMILES:
CCS(=O)(=O)[C@H]1CC[C@](CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)CC1 |r,wU:8.8,5.4,wD:8.21,(19.78,-2.92,;18.41,-3.63,;17.12,-2.8,;15.57,-2.79,;16.33,-4.13,;17.12,-1.26,;15.79,-.5,;15.79,1.04,;17.12,1.82,;18.41,2.66,;19.78,1.96,;21.13,2.71,;21.15,4.25,;22.45,1.93,;22.42,.39,;23.74,-.4,;25.09,.36,;26.41,-.43,;25.1,1.9,;23.78,2.68,;23.79,4.22,;16.05,2.95,;14.55,2.59,;13.07,3.04,;13.43,1.54,;18.45,1.04,;18.45,-.5,)|