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Target
Lysosomal acid glucosylceramidase
Ligand
BDBM42268
Substrate
n/a
Meas. Tech.
Dose response cell-based high throughput screening assay to identify enhancers of beta-glucosidase activity
EC50
>50000±n/a nM
Citation
 PubChem, PC Dose response cell-based high throughput screening assay to identify enhancers of beta-glucosidase activity PubChem Bioassay (2008)[AID] 
Target
Name:
Lysosomal acid glucosylceramidase
Synonyms:
Acid beta-glucosidase | Alglucerase | Beta-glucocerebrosidase | Beta-glucocerebrosidase (GC) | D-glucosyl-N-acylsphingosine glucohydrolase | GBA | GBA1 | GBA1_HUMAN | GC | GCase | GLUC | Glucocerebrosidase (GBA) | Glucosylceramidase (GBA) | Glucosylceramidase (GCase) | Glucosylceramidase precursor (Beta-glucocerebrosidase) (Acid beta-glucosidase) (D-glucosyl-N-acylsphingosine glucohydrolase) (Alglucerase) (Imiglucerase) | Imiglucerase | beta-glucocerebrosidase (GCase)
Type:
Enzyme
Mol. Mass.:
59724.64
Organism:
Homo sapiens (Human)
Description:
The beta-Glu activity was measured with commercially available beta-glucocerebrosidase (Ceredase) as the enzyme source.
Residue:
536
Sequence:
MEFSSPSREECPKPLSRVSIMAGSLTGLLLLQAVSWASGARPCIPKSFGYSSVVCVCNATYCDSFDPPTFPALGTFSRYESTRSGRRMELSMGPIQANHTGTGLLLTLQPEQKFQKVKGFGGAMTDAAALNILALSPPAQNLLLKSYFSEEGIGYNIIRVPMASCDFSIRTYTYADTPDDFQLHNFSLPEEDTKLKIPLIHRALQLAQRPVSLLASPWTSPTWLKTNGAVNGKGSLKGQPGDIYHQTWARYFVKFLDAYAEHKLQFWAVTAENEPSAGLLSGYPFQCLGFTPEHQRDFIARDLGPTLANSTHHNVRLLMLDDQRLLLPHWAKVVLTDPEAAKYVHGIAVHWYLDFLAPAKATLGETHRLFPNTMLFASEACVGSKFWEQSVRLGSWDRGMQYSHSIITNLLYHVVGWTDWNLALNPEGGPNWVRNFVDSPIIVDITKDTFYKQPMFYHLGHFSKFIPEGSQRVGLVASQKNDLDAVALMHPDGSAVVVVLNRSSKDVPLTIKDPAVGFLETISPGYSIHTYLWRRQ
  
Inhibitor
Name:
BDBM42268
Synonyms:
2-[4-(2-Ethoxy-phenyl)-5-(4-hydroxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide | 2-[[4-(2-ethoxyphenyl)-5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide | 2-[[4-(2-ethoxyphenyl)-5-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-1,2,4-triazol-3-yl]thio]acetamide | 2-[[4-(2-ethoxyphenyl)-5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide | 2-[[5-(4-ketocyclohexa-2,5-dien-1-ylidene)-4-o-phenetyl-1H-1,2,4-triazol-3-yl]thio]acetamide | MLS000031819 | SMR000002769 | cid_5447470
Type:
Small organic molecule
Emp. Form.:
C18H18N4O3S
Mol. Mass.:
370.426
SMILES:
CCOc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccc(O)cc1 |(6.45,-3.11,;6.45,-1.57,;7.78,-.8,;9.12,-1.57,;9.12,-3.11,;10.45,-3.88,;11.79,-3.11,;11.79,-1.57,;10.45,-.8,;10.45,.74,;9.21,1.64,;7.74,1.17,;6.6,2.2,;5.13,1.72,;3.99,2.75,;4.81,.22,;9.68,3.11,;11.22,3.11,;11.7,1.64,;13.16,1.17,;13.48,-.34,;14.95,-.81,;16.09,.22,;17.56,-.26,;15.77,1.72,;14.31,2.2,)|
Structure:
Search PDB for entries with ligand similarity: