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TargetBeta-glucosidase
LigandBDBM50299754
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:
BDBM50299754
n/a
NameBDBM50299754
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
TypeSmall organic molecule
Emp. Form.C23H37NO6
Mol. Mass.423.543
SMILESOC[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:Similarity to this molecule at least: