| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-hexosaminidase subunit alpha/beta |
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| Ligand | BDBM50190644 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1611891 (CHEMBL3853691) |
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| IC50 | 315000±n/a nM |
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| 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 Chem121:926-938 (2016) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Beta-hexosaminidase subunit alpha/beta |
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| Name: | Beta-hexosaminidase subunit alpha/beta |
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| Synonyms: | Beta-N-acetyl-D-hexosaminidase-A/B |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 1496351 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Beta-hexosaminidase subunit alpha |
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| Synonyms: | Beta-N-acetylhexosaminidase subunit alpha | Beta-hexosaminidase subunit alpha (HexA) | HEXA | HEXA_HUMAN |
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| Type: | Protein |
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| Mol. Mass.: | 60688.46 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P06865 |
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| Residue: | 529 |
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| Sequence: | MTSSRLWFSLLLAAAFAGRATALWPWPQNFQTSDQRYVLYPNNFQFQYDVSSAAQPGCSV
LDEAFQRYRDLLFGSGSWPRPYLTGKRHTLEKNVLVVSVVTPGCNQLPTLESVENYTLTI
NDDQCLLLSETVWGALRGLETFSQLVWKSAEGTFFINKTEIEDFPRFPHRGLLLDTSRHY
LPLSSILDTLDVMAYNKLNVFHWHLVDDPSFPYESFTFPELMRKGSYNPVTHIYTAQDVK
EVIEYARLRGIRVLAEFDTPGHTLSWGPGIPGLLTPCYSGSEPSGTFGPVNPSLNNTYEF
MSTFFLEVSSVFPDFYLHLGGDEVDFTCWKSNPEIQDFMRKKGFGEDFKQLESFYIQTLL
DIVSSYGKGYVVWQEVFDNKVKIQPDTIIQVWREDIPVNYMKELELVTKAGFRALLSAPW
YLNRISYGPDWKDFYIVEPLAFEGTPEQKALVIGGEACMWGEYVDNTNLVPRLWPRAGAV
AERLWSNKLTSDLTFAYERLSHFRCELLRRGVQAQPLNVGFCEQEFEQT
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| Component 2 |
| Name: | Beta-hexosaminidase subunit beta |
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| Synonyms: | Beta-N-acetylhexosaminidase subunit beta | Beta-hexosaminidase subunit beta | Beta-hexosaminidase subunit beta (Hex B) | HEXB | HEXB_HUMAN | Hexosaminidase subunit B |
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| Type: | Enzyme |
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| Mol. Mass.: | 63112.58 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P07686 |
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| Residue: | 556 |
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| Sequence: | MELCGLGLPRPPMLLALLLATLLAAMLALLTQVALVVQVAEAARAPSVSAKPGPALWPLP
LSVKMTPNLLHLAPENFYISHSPNSTAGPSCTLLEEAFRRYHGYIFGFYKWHHEPAEFQA
KTQVQQLLVSITLQSECDAFPNISSDESYTLLVKEPVAVLKANRVWGALRGLETFSQLVY
QDSYGTFTINESTIIDSPRFSHRGILIDTSRHYLPVKIILKTLDAMAFNKFNVLHWHIVD
DQSFPYQSITFPELSNKGSYSLSHVYTPNDVRMVIEYARLRGIRVLPEFDTPGHTLSWGK
GQKDLLTPCYSRQNKLDSFGPINPTLNTTYSFLTTFFKEISEVFPDQFIHLGGDEVEFKC
WESNPKIQDFMRQKGFGTDFKKLESFYIQKVLDIIATINKGSIVWQEVFDDKAKLAPGTI
VEVWKDSAYPEELSRVTASGFPVILSAPWYLDLISYGQDWRKYYKVEPLDFGGTQKQKQL
FIGGEACLWGEYVDATNLTPRLWPRASAVGERLWSSKDVRDMDDAYDRLTRHRCRMVERG
IAAQPLYAGYCNHENM
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| BDBM50190644 |
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| n/a |
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| Name | BDBM50190644 |
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| Synonyms: | CHEMBL3983808 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H31N3O3S |
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| Mol. Mass. | 357.511 |
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| SMILES | [H][C@]12CS\C(=N/CCCCCCCC)N1C[C@H](NC(C)=O)[C@H](O)[C@@H]2O |r| |
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| Structure | 
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