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TargetBeta-glucosidase
LigandBDBM50299752
Substrate/Competitorn/a
Meas. Tech.ChEMBL_589172
IC50>1000±n/a nM
Citation Risseeuw, MDvan den Berg, RJDonker-Koopman, WEvan der Marel, GAAerts, JMOverhand, MOverkleeft, HS Synthesis and evaluation of D-gluco-pyranocyclopropyl amines as potential glucosidase inhibitors. Bioorg Med Chem Lett19:6600-3 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Beta-glucosidase
Name:Beta-glucosidase
Synonyms:n/a
Type:PROTEIN
Mol. Mass.:104639.04
Organism:Homo sapiens
Description:ChEMBL_1435476
Residue:927
Sequence:
MGTQDPGNMGTGVPASEQISCAKEDPQVYCPEETGGTKDVQVTDCKSPEDSRPPKETDCC
NPEDSGQLMVSYEGKAMGYQVPPFGWRICLAHEFTEKRKPFQANNVSLSNMIKHIGMGLR
YLQWWYRKTHVEKKTPFIDMINSVPLRQIYGCPLGGIGGGTITRGWRGQFCRWQLNPGMY
QHRTVIADQFTVCLRREGQTVYQQVLSLERPSVLRSWNWGLCGYFAFYHALYPRAWTVYQ
LPGQNVTLTCRQITPILPHDYQDSSLPVGVFVWDVENEGDEALDVSIMFSMRNGLGGGDD
APGGLWNEPFCLERSGETVRGLLLHHPTLPNPYTMAVAARVTAATTVTHITAFDPDSTGQ
QVWQDLLQDGQLDSPTGQSTPTQKGVGIAGAVCVSSKLRPRGQCRLEFSLAWDMPRIMFG
AKGQVHYRRYTRFFGQDGDAAPALSHYALCRYAEWEERISAWQSPVLDDRSLPAWYKSAL
FNELYFLADGGTVWLEVLEDSLPEELGRNMCHLRPTLRDYGRFGYLEGQEYRMYNTYDVH
FYASFALIMLWPKLELSLQYDMALATLREDLTRRRYLMSGVMAPVKRRNVIPHDIGDPDD
EPWLRVNAYLIHDTADWKDLNLKFVLQVYRDYYLTGDQNFLKDMWPVCLAVMESEMKFDK
DHDGLIENGGYADQTYDGWVTTGPSAYCGGLWLAAVAVMVQMAALCGAQDIQDKFSSILS
RGQEAYERLLWNGRYYNYDSSSRPQSRSVMSDQCAGQWFLKACGLGEGDTEVFPTQHVVR
ALQTIFELNVQAFAGGAMGAVNGMQPHGVPDKSSVQSDEVWVGVVYGLAATMIQEGLTWE
GFQTAEGCYRTVWERLGLAFQTPEAYCQQRVFRSLAYMRPLSIWAMQLALQQQQHKKASW
PKVKQGTGLRTGPMFGPKEAMANLSPE
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50299752
n/a
NameBDBM50299752
Synonyms:(1S,3R,4S,5R,6R,7S)-4,5-dihydroxy-3-(hydroxymethyl)-N-(5-(adamant-1-yl)-methoxy pentyl)-2-oxabicyclo[4.1.0]heptan-7-amine | CHEMBL573995
TypeSmall organic molecule
Emp. Form.C23H39NO5
Mol. Mass.409.5595
SMILESOC[C@H]1O[C@@H]2[C@@H](NCCCCCOCC34CC5CC(CC(C5)C3)C4)[C@@H]2[C@@H](O)[C@@H]1O |r,THB:22:14:17:21.20.19,22:20:14.15.23:17,19:18:15:21.20.22,19:20:15:23.17.18,13:14:17:21.20.19|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: