Reaction Details Report a problem with these data
Target
Beta-galactosidase
Ligand
BDBM50246569
Substrate
n/a
Meas. Tech.
ChEMBL_559686 (CHEMBL1010084)
IC50
7800±n/a nM
Citation
 Steiner, AJ; Schitter, G; Stütz, AE; Wrodnigg, TM; Tarling, CA; Withers, SG; Fantur, K; Mahuran, D; Paschke, E; Tropak, M 1-Deoxygalactonojirimycin-lysine hybrids as potent D-galactosidase inhibitors. Bioorg Med Chem 16:10216-20 (2008) [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:
BDBM50246569
Synonyms:
CHEMBL505422 | Methyl 6-[N2-dansyl-N6-(1,5-dideoxy-D-galactitol-1,5-diyl)-L-lysinyl]amino hexanoate
Type:
Small organic molecule
Emp. Form.:
C31H48N4O9S
Mol. Mass.:
652.799
SMILES:
COC(=O)CCCCCNC(=O)[C@H](CCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO)NS(=O)(=O)c1cccc2c(cccc12)N(C)C |r|
Structure:
Search PDB for entries with ligand similarity: