Reaction Details Report a problem with these data
Target
Beta-galactosidase
Ligand
BDBM50235815
Substrate
n/a
Meas. Tech.
ChEMBL_1657978 (CHEMBL4007590)
IC50
13000±n/a nM
Citation
 Front, S; Biela-Banas, A; Burda, P; Ballhausen, D; Higaki, K; Caciotti, A; Morrone, A; Charollais-Thoenig, J; Gallienne, E; Demotz, S; Martin, OR (5aR)-5a-C-Pentyl-4-epi-isofagomine: A powerful inhibitor of lysosomalß-galactosidase and a remarkable chaperone for mutations associated with GM1-gangliosidosis and Morquio disease type B. Eur J Med Chem 126:160-170 (2017) [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:
BDBM50235815
Synonyms:
CHEMBL4099495
Type:
Small organic molecule
Emp. Form.:
C11H23NO3
Mol. Mass.:
217.3052
SMILES:
CCCCC[C@@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r|
Structure:
Search PDB for entries with ligand similarity: