Reaction Details Report a problem with these data
Target
Beta-galactosidase
Ligand
BDBM50182801
Substrate
n/a
Meas. Tech.
ChEMBL_1803731 (CHEMBL4276023)
IC50
>10000±n/a nM
Citation
 Front, S; Almeida, S; Zoete, V; Charollais-Thoenig, J; Gallienne, E; Marmy, C; Pilloud, V; Marti, R; Wood, T; Martin, OR; Demotz, S 4-epi-Isofagomine derivatives as pharmacological chaperones for the treatment of lysosomal diseases linked to ?-galactosidase mutations: Improved synthesis and biological investigations. Bioorg Med Chem 26:5462-5469 (2018) [PubMed]  Article 
Target
Name:
Beta-galactosidase
Synonyms:
Acid beta-galactosidase | BGAL_HUMAN | ELNR1 | Elastin receptor 1 | GLB1 | Lactase
Type:
PROTEIN
Mol. Mass.:
76074.43
Organism:
Homo sapiens (Human)
Description:
ChEMBL_215886
Residue:
677
Sequence:
MPGFLVRILPLLLVLLLLGPTRGLRNATQRMFEIDYSRDSFLKDGQPFRYISGSIHYSRVPRFYWKDRLLKMKMAGLNAIQTYVPWNFHEPWPGQYQFSEDHDVEYFLRLAHELGLLVILRPGPYICAEWEMGGLPAWLLEKESILLRSSDPDYLAAVDKWLGVLLPKMKPLLYQNGGPVITVQVENEYGSYFACDFDYLRFLQKRFRHHLGDDVVLFTTDGAHKTFLKCGALQGLYTTVDFGTGSNITDAFLSQRKCEPKGPLINSEFYTGWLDHWGQPHSTIKTEAVASSLYDILARGASVNLYMFIGGTNFAYWNGANSPYAAQPTSYDYDAPLSEAGDLTEKYFALRNIIQKFEKVPEGPIPPSTPKFAYGKVTLEKLKTVGAALDILCPSGPIKSLYPLTFIQVKQHYGFVLYRTTLPQDCSNPAPLSSPLNGVHDRAYVAVDGIPQGVLERNNVITLNITGKAGATLDLLVENMGRVNYGAYINDFKGLVSNLTLSSNILTDWTIFPLDTEDAVRSHLGGWGHRDSGHHDEAWAHNSSNYTLPAFYMGNFSIPSGIPDLPQDTFIQFPGWTKGQVWINGFNLGRYWPARGPQLTLFVPQHILMTSAPNTITVLELEWAPCSSDDPELCAVTFVDRPVIGSSVTYDHPSKPVEKRLMPPPPQKNKDSWLDHV
  
Inhibitor
Name:
BDBM50182801
Synonyms:
(3R,4R,5R)-5-(Hydroxymethyl)piperidine-3,4-diol, 8 | (3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE | AFEGOSTAT TARTRATE | CHEMBL206468 | D-Isofagomine | US10081601, Example 1.1 | US9796680, Example Table2.1 | isofagomine
Type:
Small organic molecule
Emp. Form.:
C6H13NO3
Mol. Mass.:
147.1723
SMILES:
OC[C@H]1CNC[C@@H](O)[C@@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: