Reaction Details Report a problem with these data
Target
Non-lysosomal glucosylceramidase
Ligand
BDBM50469238
Substrate
n/a
Meas. Tech.
ChEMBL_1803730 (CHEMBL4276022)
IC50
40±n/a nM
Citation
 Front, S; Almeida, S; Zoete, V; Charollais-Thoenig, J; Gallienne, E; Marmy, C; Pilloud, V; Marti, R; Wood, T; Martin, OR; Demotz, S 4-epi-Isofagomine derivatives as pharmacological chaperones for the treatment of lysosomal diseases linked to ?-galactosidase mutations: Improved synthesis and biological investigations. Bioorg Med Chem 26:5462-5469 (2018) [PubMed]  Article 
Target
Name:
Non-lysosomal glucosylceramidase
Synonyms:
Beta-glucosidase | GBA2 | GBA2_HUMAN | KIAA1605 | SPG46
Type:
PROTEIN
Mol. Mass.:
104639.04
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1435476
Residue:
927
Sequence:
MGTQDPGNMGTGVPASEQISCAKEDPQVYCPEETGGTKDVQVTDCKSPEDSRPPKETDCCNPEDSGQLMVSYEGKAMGYQVPPFGWRICLAHEFTEKRKPFQANNVSLSNMIKHIGMGLRYLQWWYRKTHVEKKTPFIDMINSVPLRQIYGCPLGGIGGGTITRGWRGQFCRWQLNPGMYQHRTVIADQFTVCLRREGQTVYQQVLSLERPSVLRSWNWGLCGYFAFYHALYPRAWTVYQLPGQNVTLTCRQITPILPHDYQDSSLPVGVFVWDVENEGDEALDVSIMFSMRNGLGGGDDAPGGLWNEPFCLERSGETVRGLLLHHPTLPNPYTMAVAARVTAATTVTHITAFDPDSTGQQVWQDLLQDGQLDSPTGQSTPTQKGVGIAGAVCVSSKLRPRGQCRLEFSLAWDMPRIMFGAKGQVHYRRYTRFFGQDGDAAPALSHYALCRYAEWEERISAWQSPVLDDRSLPAWYKSALFNELYFLADGGTVWLEVLEDSLPEELGRNMCHLRPTLRDYGRFGYLEGQEYRMYNTYDVHFYASFALIMLWPKLELSLQYDMALATLREDLTRRRYLMSGVMAPVKRRNVIPHDIGDPDDEPWLRVNAYLIHDTADWKDLNLKFVLQVYRDYYLTGDQNFLKDMWPVCLAVMESEMKFDKDHDGLIENGGYADQTYDGWVTTGPSAYCGGLWLAAVAVMVQMAALCGAQDIQDKFSSILSRGQEAYERLLWNGRYYNYDSSSRPQSRSVMSDQCAGQWFLKACGLGEGDTEVFPTQHVVRALQTIFELNVQAFAGGAMGAVNGMQPHGVPDKSSVQSDEVWVGVVYGLAATMIQEGLTWEGFQTAEGCYRTVWERLGLAFQTPEAYCQQRVFRSLAYMRPLSIWAMQLALQQQQHKKASWPKVKQGTGLRTGPMFGPKEAMANLSPE
  
Inhibitor
Name:
BDBM50469238
Synonyms:
CHEMBL4288931
Type:
Small organic molecule
Emp. Form.:
C15H31NO3
Mol. Mass.:
273.4115
SMILES:
CCCCCCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
Structure:
Search PDB for entries with ligand similarity: