Target
Lysosomal acid glucosylceramidase
Ligand
BDBM18430
Substrate
BDBM18429
Meas. Tech.
GC Enzyme Assay
pH
5.9±n/a
Temperature
294.15±n/a K
Ki
56±n/a nM
IC50
63±n/a nM
Km
28000±n/a nM
Citation
 Zheng, WPadia, JUrban, DJJadhav, AGoker-Alpan, OSimeonov, AGoldin, EAuld, DLaMarca, MEInglese, JAustin, CPSidransky, E Three classes of glucocerebrosidase inhibitors identified by quantitative high-throughput screening are chaperone leads for Gaucher disease. Proc Natl Acad Sci U S A 104:13192-7 (2007) [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:
BDBM18430
Synonyms:
4-methyl-N-[4-methyl-2-(morpholin-4-yl)quinolin-6-yl]cyclohexane-1-carboxamide | Aminoquinoline compound, 8 | NCGC00045406
Type:
Small organic molecule
Emp. Form.:
C22H29N3O2
Mol. Mass.:
367.4846
SMILES:
CC1CCC(CC1)C(=O)Nc1ccc2nc(cc(C)c2c1)N1CCOCC1 |(-13.36,6.94,;-12.03,6.17,;-10.69,6.94,;-9.36,6.17,;-9.36,4.63,;-10.69,3.86,;-12.03,4.63,;-8.03,3.86,;-8.03,2.32,;-6.69,4.63,;-5.36,3.86,;-5.36,2.32,;-4.03,1.55,;-2.69,2.32,;-1.36,1.55,;-.02,2.32,;-.02,3.86,;-1.36,4.63,;-1.36,6.17,;-2.69,3.86,;-4.03,4.63,;1.31,1.55,;1.31,.01,;2.64,-.76,;3.98,.01,;3.98,1.55,;2.64,2.32,)|
Structure:
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Substrate
Name:
BDBM18429
Synonyms:
3-Phenoxazone 7-(beta-D-glucopyranoside) | 7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3H-phenoxazin-3-one | resorufin-beta-D-glucopyranoside
Type:
Small organic molecule
Emp. Form.:
C18H17NO8
Mol. Mass.:
375.3295
SMILES:
OC[C@H]1O[C@@H](Oc2ccc3nc4ccc(=O)cc4oc3c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Structure:
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