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Target
Beta-galactosidase
Ligand
BDBM50403937
Substrate
n/a
Meas. Tech.
ChEMBL_39371 (CHEMBL653246)
IC50
28000±n/a nM
Citation
 Moreno-Vargas, AJ; Demange, R; Fuentes, J; Robina, I; Vogel, P Synthesis of [(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-5-methylfuran-4-carboxylic acid derivatives: new leads as selective beta-galactosidase inhibitors. Bioorg Med Chem Lett 12:2335-9 (2002) [PubMed]  Article 
Target
Name:
Beta-galactosidase
Synonyms:
BGAL_ASPNG | lacA
Type:
PROTEIN
Mol. Mass.:
109138.60
Organism:
Aspergillus niger
Description:
ChEMBL_39387
Residue:
1006
Sequence:
MKLSSACAIALLAAQAAGASIKHRINGFTLTEHSDPAKRELLQKYVTWDDKSLFINGERIMIFSGEFHPFRLPVKELQLDIFQKVKALGFNCVSFYVDWALVEGKPGEYRADGIFDLEPFFDAASEAGIYLLARPGPYINAESSGGGFPGWLQRVNGTLRSSDKAYLDATDNYVSHVAATIAKYQITNGGPIILYQPENEYTSGCSGVEFPDPVYMQYVEDQARNAGVVIPLINNDASASGNNAPGTGKGAVDIYGHDSYPLGFDCANPTVWPSGDLPTNFRTLHLEQSPTTPYAIVEFQGGSYDPWGGPGFAACSELLNNEFERVFYKNDFSFQIAIMNLYMIFGGTNWGNLGYPNGYTSYDYGSAVTESRNITREKYSELKLLGNFAKVSPGYLTASPGNLTTSGYADTTDLTVTPLLGNSTGSFFVVRHSDYSSEESTSYKLRLPTSAGSVTIPQLGGTLTLNGRDSKIHVTDHNVSGTNIIYSTAEVFTWKKFADGKVLVLYGGAGEHHELAISTKSNVTVIEGSESGISSKQTSSSVVVGWDVSTTRRIIQVGDLKILLLDRNSAYNYWVPQLATDGTSPGFSTPEKVASSIIVKAGYLVRTAYLKGSGLYLTADFNATTSVEVIGVPSTAKNLFINGDKTSHTVDKNGIWSATVDYNAPDISLPSLKDLDWKYVDTLPEIQSSYDDSLWPAADLKQTKNTLRSLTTPTSLYSSDYGFHTGYLLYRGHFTATGNESTFAIDTQGGSAFGSSVWLNGTYLGSWTGLYANSDYNATYNLPQLQAGKTYVITVVIDNMGLEENWTVGEDLMKSPRGISTSCLPDGQAAPISWKLTGNLGGEDYEDKVRGPLNEGGLYAERQGFHQPEPPSQNWKSSSPLEGLSEAGIGFYSASFDLDLPKDGMSHCSSTSVTALRHPRTACRSTSTDIVCEIHKQHRTSDQLPCPRGNPELSRNELVGGDPVALDSAGGKLESLELSYTTPVLTALGEVESVDQPKYKKRKGAY
  
Inhibitor
Name:
BDBM50403937
Synonyms:
CHEMBL2114149
Type:
Small organic molecule
Emp. Form.:
C14H22N2O4
Mol. Mass.:
282.3355
SMILES:
CCN(CC)C(=O)c1cc(oc1C)[C@H]1NC[C@@H](O)[C@H]1O |r|
Structure:
Search PDB for entries with ligand similarity: