Reaction Details Report a problem with these data
Target
Lysosomal acid glucosylceramidase
Ligand
BDBM50337387
Substrate
n/a
Meas. Tech.
ChEMBL_728263 (CHEMBL1687420)
IC50
100000±n/a nM
Citation
 Rasmussen, TS; Allman, S; Twigg, G; Butters, TD; Jensen, HH Synthesis of N-alkylated noeurostegines and evaluation of their potential as treatment for Gaucher's disease. Bioorg Med Chem Lett 21:1519-22 (2011) [PubMed]  Article 
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:
BDBM50337387
Synonyms:
(1R,2S,3R,4R,5R)-8-butyl-4-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-1,2,3-triol | CHEMBL1682494
Type:
Small organic molecule
Emp. Form.:
C12H23NO4
Mol. Mass.:
245.3153
SMILES:
CCCCN1[C@@H]2CC[C@@]1(O)[C@@H](O)[C@H](O)[C@H]2CO |r,TLB:11:10:4:6.7,THB:13:12:4:6.7,15:14:4:6.7|
Structure:
Search PDB for entries with ligand similarity: