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Target
Beta-hexosaminidase subunit alpha/beta
Ligand
BDBM50024717
Substrate
n/a
Meas. Tech.
ChEMBL_960954 (CHEMBL2388714)
Ki
2810±n/a nM
Citation
 Guo, P; Chen, Q; Liu, T; Xu, L; Yang, Q; Qian, X Development of Unsymmetrical Dyads As Potent Noncarbohydrate-Based Inhibitors against Human ?-N-Acetyl-d-hexosaminidase. ACS Med Chem Lett 4:527-31 (2013) [PubMed]  Article 
Target
Name:
Beta-hexosaminidase subunit alpha/beta
Synonyms:
Beta-N-acetyl-D-hexosaminidase-A/B
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1496351
Components:
This complex has 2 components.
Component 1
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
  
Component 2
Name:
Beta-hexosaminidase subunit beta
Synonyms:
Beta-N-acetylhexosaminidase subunit beta | Beta-hexosaminidase subunit beta | Beta-hexosaminidase subunit beta (Hex B) | HEXB | HEXB_HUMAN | Hexosaminidase subunit B
Type:
Enzyme
Mol. Mass.:
63112.58
Organism:
Homo sapiens (Human)
Description:
P07686
Residue:
556
Sequence:
MELCGLGLPRPPMLLALLLATLLAAMLALLTQVALVVQVAEAARAPSVSAKPGPALWPLPLLVKMTPNLLHLAPENFYISHSPNSTAGPSCTLLEEAFRRYHGYIFGFYKWHHEPAEFQAKTQVQQLLVSITLQSECDAFPNISSDESYTLLVKEPVAVLKANRVWGALRGLETFSQLVYQDSYGTFTINESTIIDSPRFSHRGILIDTSRHYLPVKIILKTLDAMAFNKFNVLHWHIVDDQSFPYQSITFPELSNKGSYSLSHVYTPNDVRMVIEYARLRGIRVLPEFDTPGHTLSWGKGQKDLLTPCYSRQNKLDSFGPINPTLNTTYSFLTTFFKEISEVFPDQFIHLGGDEVEFKCWESNPKIQDFMRQKGFGTDFKKLESFYIQKVLDIIATINKGSIVWQEVFDDKAKLAPGTIVEVWKDSAYPEELSRVTASGFPVILSAPWYLDLISYGQDWRKYYKVEPLDFGGTQKQKQLFIGGEACLWGEYVDATNLTPRLWPRASAVGERLWSSKDVRDMDDAYDRLTRHRCRMVERGIAAQPLYAGYCNHENM
  
Inhibitor
Name:
BDBM50024717
Synonyms:
2-(2-Dimethylamino-ethyl)-benzo[de]isoquinoline-1,3-dione | 2-[2-(dimethylamino)ethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione | CHEMBL20330 | N-(N',N'-Dimethylaminoethyl)-1,8-naphthalimide
Type:
Small organic molecule
Emp. Form.:
C16H16N2O2
Mol. Mass.:
268.3104
SMILES:
CN(C)CCN1C(=O)c2cccc3cccc(C1=O)c23
Structure:
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