Reaction Details Report a problem with these data
Target
Beta-hexosaminidase
Ligand
BDBM50577838
Substrate
n/a
Meas. Tech.
ChEMBL_2131146 (CHEMBL4840661)
Ki
125±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
Synonyms:
HEXB
Type:
PROTEIN
Mol. Mass.:
61269.39
Organism:
Bos taurus
Description:
ChEMBL_120526
Residue:
537
Sequence:
MEQRGLARLRLPGLLALLAALAARTPRVSASGDLNLWPLPVSLKTTPRLFYLSPGNFFFGHSPTSKAGPSCAVLQEAFRRYYDYIFGFYKWHHGHNKIPSEMELQKLEVSVIMDPECDSFPSITSDESYTLLVKGPVATLTANRVWGVLRGLETFSQLIYQDSYGTFTANESNIVDSPRFPHRGILIDTSRHFLPVKTILKTLDAMAFNKFNVLHWHIVDDQSFPYQSISFPELSNKGSYSLSHVYTPNDVRTVIEYARLRGIRVLPEFDSPGHTESWGKGQKDLLTPCYHAREPSGTFGPINPILNSTYSFLSKLFKEISTVFPDEFIHLGGDEVNFNCWESNPAVLNFMMNKGFGKNFKKLQSFYMQMVLDMISTMKKRSIVWQEVYDDEGKLLPGTVVQVWKMGDFYKELENITAAGFPVIISAPWYLDVINYGQDWRQYYSVKPLNFAGTPEQKQLVIGGEACIWGEYVDATNLTPRLWPRASAVGERLWSPQEVTDLDDAYRRLTRHRCRMVRRGIAAQPLFTGYCEHEGRM
  
Inhibitor
Name:
BDBM50577838
Synonyms:
CHEMBL4874886
Type:
Small organic molecule
Emp. Form.:
C16H19F3N4O6
Mol. Mass.:
420.3405
SMILES:
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O\C1=N/NC(=O)Nc1ccc(cc1)C(F)(F)F |r|
Structure:
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