Reaction Details Report a problem with these data
Target
Non-lysosomal glucosylceramidase
Ligand
BDBM50299749
Substrate
n/a
Meas. Tech.
ChEMBL_861596 (CHEMBL2174537)
IC50
2±n/a nM
Citation
 Liu, J; Obando, D; Liao, V; Lifa, T; Codd, R The many faces of the adamantyl group in drug design. Eur J Med Chem 46:1949-63 (2011) [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:
BDBM50299749
Synonyms:
(2R,3R,4R,5S)-1-[5-(Adamantan-1-ylmethoxy)-pentyl]-2-hydroxymethyl-piperidine-3,4,5-triol | CHEMBL574645 | N-adamantanemethyloxypentyl-1-deoxynojirimycin
Type:
Small organic molecule
Emp. Form.:
C22H39NO5
Mol. Mass.:
397.5488
SMILES:
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCC12CC3CC(CC(C3)C1)C2 |r,TLB:21:22:19.20.25:26,THB:21:20:26:27.22.23,23:22:19:25.24.26,23:24:19:27.21.22|
Structure:
Search PDB for entries with ligand similarity: