Reaction Details Report a problem with these data
Target
Lysosomal acid glucosylceramidase
Ligand
BDBM50564234
Substrate
n/a
Meas. Tech.
ChEMBL_2087261 (CHEMBL4768524)
Ki
1100±n/a nM
Citation
 Martínez-Bailén, M; Carmona, AT; Cardona, F; Matassini, C; Goti, A; Kubo, M; Kato, A; Robina, I; Moreno-Vargas, AJ Synthesis of multimeric pyrrolidine iminosugar inhibitors of human ?-glucocerebrosidase and ?-galactosidase A: First example of a multivalent enzyme activity enhancer for Fabry disease. Eur J Med Chem 192:0 (2020) [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:
BDBM50564234
Synonyms:
CHEMBL4783905
Type:
Small organic molecule
Emp. Form.:
C201H258N66O48
Mol. Mass.:
4366.6126
SMILES:
O[C@@H]1CN[C@@H](Cn2cc(nn2)-c2ccc(OCCOCCn3cc(COCC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)NC(=O)c4cc(cc(c4)C(=O)NC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)C(=O)NC(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)(COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)COCc4cn(CCOCCOc5ccc(cc5)-c5cn(C[C@@H]6NC[C@@H](O)[C@H]6O)nn5)nn4)nn3)cc2)[C@@H]1O |r|
Structure:
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