Reaction Details Report a problem with these data
Target
Oligo-1,6-glucosidase IMA1
Ligand
BDBM50341333
Substrate
n/a
Meas. Tech.
ChEMBL_742452 (CHEMBL1769100)
IC50
>100000±n/a nM
Citation
 Díaz, L; Casas, J; Bujons, J; Llebaria, A; Delgado, A New glucocerebrosidase inhibitors by exploration of chemical diversity of N-substituted aminocyclitols using click chemistry and in situ screening. J Med Chem 54:2069-79 (2011) [PubMed]  Article 
Target
Name:
Oligo-1,6-glucosidase IMA1
Synonyms:
α-glucosidase | Alpha-glucosidase | Alpha-glucosidase (α-glucosidase) | IMA1 | MALX3_YEAST | Oligo-1,6-glucosidase
Type:
Protein
Mol. Mass.:
68577.59
Organism:
Saccharomyces cerevisiae S288c (Baker's yeast)
Description:
n/a
Residue:
589
Sequence:
MTISSAHPETEPKWWKEATFYQIYPASFKDSNDDGWGDMKGIASKLEYIKELGADAIWISPFYDSPQDDMGYDIANYEKVWPTYGTNEDCFALIEKTHKLGMKFITDLVINHCSSEHEWFKESRSSKTNPKRDWFFWRPPKGYDAEGKPIPPNNWKSYFGGSAWTFDEKTQEFYLRLFCSTQPDLNWENEDCRKAIYESAVGYWLDHGVDGFRIDVGSLYSKVVGLPDAPVVDKNSTWQSSDPYTLNGPRIHEFHQEMNQFIRNRVKDGREIMTVGEMQHASDETKRLYTSASRHELSELFNFSHTDVGTSPLFRYNLVPFELKDWKIALAELFRYINGTDCWSTIYLENHDQPRSITRFGDDSPKNRVISGKLLSVLLSALTGTLYVYQGQELGQINFKNWPVEKYEDVEIRNNYNAIKEEHGENSEEMKKFLEAIALISRDHARTPMQWSREEPNAGFSGPSAKPWFYLNDSFREGINVEDEIKDPNSVLNFWKEALKFRKAHKDITVYGYDFEFIDLDNKKLFSFTKKYNNKTLFAALNFSSDATDFKIPNDDSSFKLEFGNYPKKEVDASSRTLKPWEGRIYISE
  
Inhibitor
Name:
BDBM50341333
Synonyms:
CHEMBL1766470 | rel-(1R,2S,4R,5S)-6-[[1-(3,3-Diphenylpropyl)-1H-1,2,3-triazol-4-yl]methylamino]cyclohexane-1,2,3,4,5-pentaol
Type:
Small organic molecule
Emp. Form.:
C24H30N4O5
Mol. Mass.:
454.5188
SMILES:
O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(CCC(c3ccccc3)c3ccccc3)nn2)[C@@H](O)[C@@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: