Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBeta-galactosidase
LigandBDBM50341334
Substrate/Competitorn/a
Meas. Tech.ChEMBL_742453 (CHEMBL1769101)
IC50>100000±n/a nM
Citation Díaz, LCasas, JBujons, JLlebaria, ADelgado, A New glucocerebrosidase inhibitors by exploration of chemical diversity of N-substituted aminocyclitols using click chemistry and in situ screening. J Med Chem54:2069-79 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Beta-galactosidase
Name:Beta-galactosidase
Synonyms:β-galactosidase | BGAL_BOVIN | Beta-galactosidase/Glucosylceramidase | GLB1
Type:Protein
Mol. Mass.:73420.88
Organism:Bos taurus (Bovine)
Description:n/a
Residue:653
Sequence:
MPGVVRLLALLLVPLLLGSARGLHNATQRTFQIDYRRNRFLKDGQPFRYISGSIHYFRVP
RFYWKDRLLKMKMAGLNAIQTYVAWNFHELQPGRYNFSGDHDVEHFIQLAHELGLLVILR
PGPYICAEWDMGGLPAWLLEKKSIVLRSSDPDYLAAVDKWLGVLLPKMRPLLYKNGGPII
TVQVENEYGSYLSCDYDYLRFLQKRFHDHLGEDVLLFTTDGVNERLLQCGALQGLYATVD
FSPGTNLTAAFMLQRKFEPTGPLVNSEFYTGWLDHWGQRHSTVSSKAVAFTLHDMLALGA
NVNMYMFIGGTNFAYWNGANIPYQPQPTSYDYDAPLSEAGDLTEKYFALRDIIQKFAKVP
EGPIPPSTPKFAYGKVALNKLKTVEDALNILCPSGPIKSVYPLTFIDVKQYFGFVLYRTM
LPEDCSDPTPLSSPLSGVHDRAYVSVNGVAQGILERESVITLNITGKAGATLDLLVENMG
RVNYGSSINDFKGLVSNLTLGSKILTNWEIFPLDMEDAVRSHLGTWGGRDRGYHNKARAH
SPPTYALPTFYVGNFTIPSGIADLPQDTFIQFPGWTKGQVWINGFNLGRYWPVRGPQMTL
FVPQHILVTSTPNTIVVLELEHAPCQDGGPELCTVEFVDKPVFRTVQTHRHAN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50341334
n/a
NameBDBM50341334
Synonyms:CHEMBL1766473 | rel-(1R,2S,4R,5S)-6-[(1-Adamantyl-1H-1,2,3-triazol-4-yl)methylamino]cyclohexane-1,2,3,4,5-pentaol
TypeSmall organic molecule
Emp. Form.C20H32N4O5
Mol. Mass.408.4919
SMILESO[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(CC34CC5CC(CC(C5)C3)C4)nn2)[C@@H](O)[C@@H]1O |r,TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13,12:13:16.15.20:18|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: