Reaction Details Report a problem with these data
Target
Beta-hexosaminidase subunit beta
Ligand
BDBM50327038
Substrate
n/a
Meas. Tech.
ChEMBL_960950 (CHEMBL2388710)
Ki
290±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 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:
BDBM50327038
Synonyms:
(3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d]thiazole-6,7-diol | (3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydropyrano[3,2-d]thiazole-6,7-diol | 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL | CHEMBL257158 | N-acetylglucosamine thiazoline
Type:
Small organic molecule
Emp. Form.:
C8H13NO4S
Mol. Mass.:
219.258
SMILES:
CC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1 |r,t:1|
Structure:
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