Reaction Details Report a problem with these data
Target
Lysosomal acid glucosylceramidase
Ligand
BDBM50182801
Substrate
n/a
Meas. Tech.
Assay for Determination of Ki Values for Inhibition of GCase Activity
pH
7±n/a
Ki
1.70±n/a nM
Comments
extracted
Citation
 Kaul, R; McEachern, EJ; Sun, J; Vocadlo, DJ; Zhou, Y; Zhu, Y Glucocerebrosidase modulators and uses thereof US Patent  US10081601 Publication Date 9/25/2018 
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:
BDBM50182801
Synonyms:
(3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8 | (3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE | AFEGOSTAT TARTRATE | CHEMBL206468 | D-Isofagomine | US10081601, Example 1.1 | US9796680, Example Table2.1 | isofagomine
Type:
Small organic molecule
Emp. Form.:
C6H13NO3
Mol. Mass.:
147.1723
SMILES:
OC[C@H]1CNC[C@@H](O)[C@@H]1O |r|
Structure:
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