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Target
Beta-hexosaminidase subunit beta
Ligand
BDBM36548
Substrate
BDBM18365
Meas. Tech.
Enzyme Inhibition Assay
pH
4.2500±0.0000
Temperature
303.1500±0.0000 K
Ki
0.69± 0.077 nM
Citation
 Ho, CW; Popat, SD; Liu, TW; Tsai, KC; Ho, MJ; Chen, WH; Yang, AS; Lin, CH Development of GlcNAc-inspired iminocyclitiols as potent and selective N-acetyl-beta-hexosaminidase inhibitors. ACS Chem Biol 5:489-97 (2010) [PubMed]  Article 
Target
Name:
Beta-hexosaminidase subunit beta
Synonyms:
Beta-hexosaminidase subunit beta | Hexosaminidase subunit B | Beta-N-acetylhexosaminidase subunit beta | HEXB_HUMAN | HEXB | Beta-hexosaminidase subunit beta (Hex B)
Type:
Enzyme
Mol. Mass.:
63112.58
Organism:
Human
Description:
P07686
Residue:
556
Sequence:
MELCGLGLPRPPMLLALLLATLLAAMLALLTQVALVVQVAEAARAPSVSAKPGPALWPLPLLVKMTPNLLHLAPENFYISHSPNSTAGPSCTLLEEAFRRYHGYIFGFYKWHHEPAEFQAKTQVQQLLVSITLQSECDAFPNISSDESYTLLVKEPVAVLKANRVWGALRGLETFSQLVYQDSYGTFTINESTIIDSPRFSHRGILIDTSRHYLPVKIILKTLDAMAFNKFNVLHWHIVDDQSFPYQSITFPELSNKGSYSLSHVYTPNDVRMVIEYARLRGIRVLPEFDTPGHTLSWGKGQKDLLTPCYSRQNKLDSFGPINPTLNTTYSFLTTFFKEISEVFPDQFIHLGGDEVEFKCWESNPKIQDFMRQKGFGTDFKKLESFYIQKVLDIIATINKGSIVWQEVFDDKAKLAPGTIVEVWKDSAYPEELSRVTASGFPVILSAPWYLDLISYGQDWRKYYKVEPLDFGGTQKQKQLFIGGEACLWGEYVDATNLTPRLWPRASAVGERLWSSKDVRDMDDAYDRLTRHRCRMVERGIAAQPLYAGYCNHENM
  
Inhibitor
Name:
BDBM36548
Synonyms:
N-[1-(7-{bis[(4-methoxyphenyl)methyl]amino}heptyl)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide, 4
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
COc1ccc(CN(CCCCCCCN2CC(NC(C)=O)C(O)C(O)C2CO)Cc2ccc(OC)cc2)cc1
Structure:
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Substrate
Name:
BDBM18365
Synonyms:
4-Methylumbelliferyl alpha-D-glucopyranoside | 4-methyl-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-chromen-2-one | 4-methylumbelliferyl alpha-glucoside
Type:
Small organic molecule
Emp. Form.:
C16H18O8
Mol. Mass.:
338.10
SMILES:
Cc1cc(=O)oc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12
Structure:
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