Reaction Details Report a problem with these data
Target
Beta-N-acetylhexosaminidase
Ligand
BDBM50377443
Substrate
n/a
Meas. Tech.
ChEMBL_479697 (CHEMBL933561)
Ki
>2000000±n/a nM
Citation
 Amorelli, B; Yang, C; Rempel, B; Withers, SG; Knapp, S N-Acetylhexosaminidase inhibitory properties of C-1 homologated GlcNAc- and GalNAc-thiazolines. Bioorg Med Chem Lett 18:2944-7 (2008) [PubMed]  Article 
Target
Name:
Beta-N-acetylhexosaminidase
Synonyms:
B-N-acetylhexosaminidase
Type:
PROTEIN
Mol. Mass.:
55190.87
Organism:
Streptomyces plicatus
Description:
ChEMBL_479697
Residue:
506
Sequence:
MTTGAAPDRKAPVRPTPLDRVIPAPASVDPGGAPYRITRGTHIRVDDSREARRVGDYLADLLRPATGYRLPVTAHGHGGIRLRLAGGPYGDEGYRLDSGPAGVTITARKAAGLFHGVQTLRQLLPPAVEKDSAQPGPWLVAGGTIEDTPRYAWRSAMLDVSRHFFGVDEVKRYIDRVARYKYNKLHLHLSDDQGWRIAIDSWPRLATYGGSTEVGGGPGGYYTKAEYKEIVRYAASRHLEVVPEIDMPGHTNAALASYAELNCDGVAPPLYTGTKVGFSSLCVDKDVTYDFVDDVIGELAALTPGRYLHIGGDEAHSTPKADFVAFMKRVQPIVAKYGKTVVGWHQLAGAEPVEGALVQYWGLDRTGDAEKAEVAEAARNGTGLILSPADRTYLDMKYTKDTPLGLSWAGYVEVQRSYDWDPAGYLPGAPADAVRGVEAPLWTETLSDPDQLDYMAFPRLPGVAELGWSPASTHDWDTYKVRLAAQAPYWEAAGIDFYRSPQVPWT
  
Inhibitor
Name:
BDBM50377443
Synonyms:
CHEMBL403748
Type:
Small organic molecule
Emp. Form.:
C9H16N2O4S
Mol. Mass.:
248.299
SMILES:
CC1=N[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@]2(CN)S1 |t:1|
Structure:
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