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Target
Beta-hexosaminidase subunit alpha
Ligand
BDBM50190644
Substrate
n/a
Meas. Tech.
ChEMBL_1611890 (CHEMBL3853690)
IC50
100000±n/a nM
Citation
 de la Fuente, A; Rísquez-Cuadro, R; Verdaguer, X; García Fernández, JM; Nanba, E; Higaki, K; Ortiz Mellet, C; Riera, A Efficient stereoselective synthesis of 2-acetamido-1,2-dideoxyallonojirimycin (DAJNAc) and sp(2)-iminosugar conjugates: Novel hexosaminidase inhibitors with discrimination capabilities between the mature and precursor forms of the enzyme. Eur J Med Chem 121:926-938 (2016) [PubMed]  Article 
Target
Name:
Beta-hexosaminidase subunit alpha
Synonyms:
Beta-N-acetylhexosaminidase subunit alpha | Beta-hexosaminidase subunit alpha (HexA) | HEXA | HEXA_HUMAN
Type:
Protein
Mol. Mass.:
60688.46
Organism:
Homo sapiens (Human)
Description:
P06865
Residue:
529
Sequence:
MTSSRLWFSLLLAAAFAGRATALWPWPQNFQTSDQRYVLYPNNFQFQYDVSSAAQPGCSVLDEAFQRYRDLLFGSGSWPRPYLTGKRHTLEKNVLVVSVVTPGCNQLPTLESVENYTLTINDDQCLLLSETVWGALRGLETFSQLVWKSAEGTFFINKTEIEDFPRFPHRGLLLDTSRHYLPLSSILDTLDVMAYNKLNVFHWHLVDDPSFPYESFTFPELMRKGSYNPVTHIYTAQDVKEVIEYARLRGIRVLAEFDTPGHTLSWGPGIPGLLTPCYSGSEPSGTFGPVNPSLNNTYEFMSTFFLEVSSVFPDFYLHLGGDEVDFTCWKSNPEIQDFMRKKGFGEDFKQLESFYIQTLLDIVSSYGKGYVVWQEVFDNKVKIQPDTIIQVWREDIPVNYMKELELVTKAGFRALLSAPWYLNRISYGPDWKDFYIVEPLAFEGTPEQKALVIGGEACMWGEYVDNTNLVPRLWPRAGAVAERLWSNKLTSDLTFAYERLSHFRCELLRRGVQAQPLNVGFCEQEFEQT
  
Inhibitor
Name:
BDBM50190644
Synonyms:
CHEMBL3983808
Type:
Small organic molecule
Emp. Form.:
C17H31N3O3S
Mol. Mass.:
357.511
SMILES:
[H][C@]12CS\C(=N/CCCCCCCC)N1C[C@H](NC(C)=O)[C@H](O)[C@@H]2O |r|
Structure:
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