Reaction Details Report a problem with these data
Target
Lysosomal acid glucosylceramidase
Ligand
BDBM50196627
Substrate
n/a
Meas. Tech.
ChEMBL_1618764 (CHEMBL3860933)
pH
5.9±n/a
IC50
126±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:
BDBM50196627
Synonyms:
CHEMBL3929224 | US10167270, Compound 6b
Type:
Small organic molecule
Emp. Form.:
C21H24N4
Mol. Mass.:
332.4421
SMILES:
CCC1CCC(CC1)Nc1nc(nc2ccccc12)-c1cccnc1 |(34.23,-13.35,;35.56,-14.12,;36.9,-13.35,;36.9,-11.81,;38.23,-11.05,;39.57,-11.81,;39.57,-13.36,;38.23,-14.13,;40.9,-11.04,;40.9,-9.5,;42.23,-8.72,;42.22,-7.17,;40.89,-6.41,;39.56,-7.19,;38.22,-6.42,;36.9,-7.19,;36.89,-8.74,;38.23,-9.51,;39.56,-8.73,;43.55,-6.4,;44.88,-7.16,;46.21,-6.39,;46.2,-4.85,;44.86,-4.08,;43.53,-4.87,)|
Structure:
Search PDB for entries with ligand similarity: