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Target
Non-lysosomal glucosylceramidase
Ligand
BDBM50299754
Substrate
n/a
Meas. Tech.
ChEMBL_589172 (CHEMBL1040323)
IC50
>1000000±n/a nM
Citation
 Risseeuw, MD; van den Berg, RJ; Donker-Koopman, WE; van der Marel, GA; Aerts, JM; Overhand, M; Overkleeft, HS Synthesis and evaluation of D-gluco-pyranocyclopropyl amines as potential glucosidase inhibitors. Bioorg Med Chem Lett 19:6600-3 (2009) [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:
BDBM50299754
Synonyms:
CHEMBL577370 | N-((1S,3R,4S,5R,6R,7S)-4,5-Dihydroxy-3-(hydroxymethyl)-2-oxabicyclo[4.1.0]heptan-7-yl)5-(adamant-1-yl-methoxy)pentanamide
Type:
Small organic molecule
Emp. Form.:
C23H37NO6
Mol. Mass.:
423.543
SMILES:
OC[C@H]1O[C@@H]2[C@@H](NC(=O)CCCCOCC34CC5CC(CC(C5)C3)C4)[C@@H]2[C@@H](O)[C@@H]1O |r,THB:23:15:18:22.21.20,23:21:15.16.24:18,20:19:16:22.21.23,20:21:16:24.18.19,14:15:18:22.21.20|
Structure:
Search PDB for entries with ligand similarity: