Reaction Details Report a problem with these data
Target
Lysosomal acid glucosylceramidase
Ligand
BDBM50196534
Substrate
n/a
Meas. Tech.
ChEMBL_1618764 (CHEMBL3860933)
pH
5.9±n/a
IC50
20±n/a nM
Comments
extracted
Citation
 Zheng, J; Chen, L; Schwake, M; Silverman, RB; Krainc, D Design and Synthesis of Potent Quinazolines as Selectiveß-Glucocerebrosidase Modulators. J Med Chem 59:8508-20 (2016) [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:
BDBM50196534
Synonyms:
CHEMBL3956777
Type:
Small organic molecule
Emp. Form.:
C20H22N4
Mol. Mass.:
318.4155
SMILES:
C[C@H]1CC[C@@H](CC1)Nc1nc(nc2ccccc12)-c1cccnc1 |r,wU:4.7,wD:1.0,(50.14,-14.73,;51.48,-13.96,;52.81,-14.73,;54.15,-13.96,;54.14,-12.42,;52.81,-11.65,;51.48,-12.42,;55.47,-11.64,;55.47,-10.1,;56.81,-9.33,;56.8,-7.78,;55.46,-7.02,;54.13,-7.79,;52.8,-7.03,;51.47,-7.8,;51.47,-9.35,;52.8,-10.12,;54.14,-9.34,;58.13,-7,;59.46,-7.77,;60.79,-6.99,;60.78,-5.45,;59.43,-4.69,;58.11,-5.47,)|
Structure:
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