Reaction Details Report a problem with these data
Target
Beta-hexosaminidase
Ligand
BDBM50577839
Substrate
n/a
Meas. Tech.
ChEMBL_2131146 (CHEMBL4840661)
Ki
413±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:
BDBM50577839
Synonyms:
CHEMBL4851727
Type:
Small organic molecule
Emp. Form.:
C16H22N4O7
Mol. Mass.:
382.3685
SMILES:
COc1ccc(NC(=O)N\N=C2/O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: