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Target
Beta-hexosaminidase subunit alpha
Ligand
BDBM50577836
Substrate
n/a
Meas. Tech.
ChEMBL_2131146 (CHEMBL4840661)
Ki
205±n/a nM
Citation
 Kiss, M; Szabó, E; Bocska, B; Sinh, LT; Fernandes, CP; Timári, I; Hayes, JM; Somsák, L; Barna, T Nanomolar inhibition of human OGA by 2-acetamido-2-deoxy-d-glucono-1,5-lactone semicarbazone derivatives. Eur J Med Chem 223:0 (2021) [PubMed]  Article 
Target
Name:
Beta-hexosaminidase subunit alpha
Synonyms:
HEXA/HEXB
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 2131146
Components:
This complex has 2 components.
Component 1
Name:
Beta-hexosaminidase subunit alpha
Synonyms:
Beta-N-acetylhexosaminidase subunit alpha | HEXA | HEXA_BOVIN | Hexosaminidase subunit A | N-acetyl-beta-glucosaminidase subunit alpha
Type:
PROTEIN
Mol. Mass.:
60347.50
Organism:
Bos taurus
Description:
ChEMBL_120526
Residue:
529
Sequence:
MAGSTLRFSLLLAAAFAGRATALWPWPQYIQTSELRYTIFPQSFQFQYHLSSAAQVGCSVLDEAFQRYRDLLFGSVAFRFPHPIEKRHTSEKNSLVVLVVTPGCDQFPSLGSVENYTLTINDEQSLLLSETVWGALRGLETFSQLIWRSPEGTFYVNKTDIEDFPRFPHRGLLLDTSRHYLPLASILDTLDVMAYNKFNVFHWHLVDDSSFPYESFTFPELTKKGSYNPATHIYTAQDVKEVIEYARLRGIRVLAEFDTPGHTLSWGPGVPGLLTPCYSGSHPSGTFGPVNPALNNTYEFMSTFFLEISTVFPDFYLHLGGDEVDFTCWKSNPDIQAFMKKKGFGDDFKKLESFYIQTLLDIVSAYGKGYVVWQEVFDNKVKVRPDTIIQVWREEIPVKYVKELALVTRAGFRALLSAPWYLNHITYGPDWKEIYLVEPLAFEGSPEQKALVIGGEACMWGEYVDSTNLVPRLWPRAGAVAERLWSNKMVSNLDFAFKRLAHFRCELLRRGVQAQPLSVGYCDMEFEQT
  
Component 2
Name:
Beta-hexosaminidase
Synonyms:
HEXB
Type:
PROTEIN
Mol. Mass.:
61269.39
Organism:
Bos taurus
Description:
ChEMBL_120526
Residue:
537
Sequence:
MEQRGLARLRLPGLLALLAALAARTPRVSASGDLNLWPLPVSLKTTPRLFYLSPGNFFFGHSPTSKAGPSCAVLQEAFRRYYDYIFGFYKWHHGHNKIPSEMELQKLEVSVIMDPECDSFPSITSDESYTLLVKGPVATLTANRVWGVLRGLETFSQLIYQDSYGTFTANESNIVDSPRFPHRGILIDTSRHFLPVKTILKTLDAMAFNKFNVLHWHIVDDQSFPYQSISFPELSNKGSYSLSHVYTPNDVRTVIEYARLRGIRVLPEFDSPGHTESWGKGQKDLLTPCYHAREPSGTFGPINPILNSTYSFLSKLFKEISTVFPDEFIHLGGDEVNFNCWESNPAVLNFMMNKGFGKNFKKLQSFYMQMVLDMISTMKKRSIVWQEVYDDEGKLLPGTVVQVWKMGDFYKELENITAAGFPVIISAPWYLDVINYGQDWRQYYSVKPLNFAGTPEQKQLVIGGEACIWGEYVDATNLTPRLWPRASAVGERLWSPQEVTDLDDAYRRLTRHRCRMVRRGIAAQPLFTGYCEHEGRM
  
Inhibitor
Name:
BDBM50577836
Synonyms:
CHEMBL4861823
Type:
Small organic molecule
Emp. Form.:
C15H20N4O6
Mol. Mass.:
352.3425
SMILES:
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: