Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetLysosomal acid glucosylceramidase
LigandBDBM18435
Substrate/CompetitorBDBM18429
Meas. Tech.GC Enzyme Assay
pH5.9±n/a
Temperature294.15±n/a K
Ki 514±n/a nM
IC50 1060±n/a nM
Km28000±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 A104:13192-7 (2007) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
Lysosomal acid glucosylceramidase
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:
MEFSSPSREECPKPLSRVSIMAGSLTGLLLLQAVSWASGARPCIPKSFGYSSVVCVCNAT
YCDSFDPPTFPALGTFSRYESTRSGRRMELSMGPIQANHTGTGLLLTLQPEQKFQKVKGF
GGAMTDAAALNILALSPPAQNLLLKSYFSEEGIGYNIIRVPMASCDFSIRTYTYADTPDD
FQLHNFSLPEEDTKLKIPLIHRALQLAQRPVSLLASPWTSPTWLKTNGAVNGKGSLKGQP
GDIYHQTWARYFVKFLDAYAEHKLQFWAVTAENEPSAGLLSGYPFQCLGFTPEHQRDFIA
RDLGPTLANSTHHNVRLLMLDDQRLLLPHWAKVVLTDPEAAKYVHGIAVHWYLDFLAPAK
ATLGETHRLFPNTMLFASEACVGSKFWEQSVRLGSWDRGMQYSHSIITNLLYHVVGWTDW
NLALNPEGGPNWVRNFVDSPIIVDITKDTFYKQPMFYHLGHFSKFIPEGSQRVGLVASQK
NDLDAVALMHPDGSAVVVVLNRSSKDVPLTIKDPAVGFLETISPGYSIHTYLWRRQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM18435
BDBM18429
NameBDBM18435
Synonyms:Aminoquinoline compound, 20 | N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-methylcyclohexane-1-carboxamide
TypeSmall organic molecule
Emp. Form.C22H31N3O
Mol. Mass.353.501
SMILESCCN(CC)c1cc(C)c2cc(NC(=O)C3CCC(C)CC3)ccc2n1 |(2.64,-.76,;1.31,.01,;1.31,1.55,;2.64,2.32,;3.98,1.55,;-.02,2.32,;-.02,3.86,;-1.36,4.63,;-1.36,6.17,;-2.69,3.86,;-4.03,4.63,;-5.36,3.86,;-6.69,4.63,;-8.03,3.86,;-8.03,2.32,;-9.36,4.63,;-9.46,6.17,;-10.84,6.85,;-12.12,6,;-13.5,6.68,;-12.02,4.46,;-10.64,3.78,;-5.36,2.32,;-4.03,1.55,;-2.69,2.32,;-1.36,1.55,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: