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Target
Beta-glucuronidase
Ligand
BDBM50539703
Substrate
n/a
Meas. Tech.
ChEMBL_1978620 (CHEMBL4611755)
IC50
620±n/a nM
Citation
 Yang, F; Zhu, W; Sun, S; Ai, Q; Edirisuriya, P; Zhou, K Isolation and Structural Characterization of Specific Bacterial ?-Glucuronidase Inhibitors from Noni ( J Nat Prod 83:825-833 (2020) [PubMed]  Article 
Target
Name:
Beta-glucuronidase
Synonyms:
β-Glucuronidase | BGLR_ECOLI | Beta-glucuronidase (EcGUS) | gurA | gusA | uidA
Type:
Protein
Mol. Mass.:
68431.57
Organism:
Escherichia coli (Enterobacteria)
Description:
P05804
Residue:
603
Sequence:
MLRPVETPTREIKKLDGLWAFSLDRENCGIDQRWWESALQESRAIAVPGSFNDQFADADIRNYAGNVWYQREVFIPKGWAGQRIVLRFDAVTHYGKVWVNNQEVMEHQGGYTPFEADVTPYVIAGKSVRITVCVNNELNWQTIPPGMVITDENGKKKQSYFHDFFNYAGIHRSVMLYTTPNTWVDDITVVTHVAQDCNHASVDWQVVANGDVSVELRDADQQVVATGQGTSGTLQVVNPHLWQPGEGYLYELCVTAKSQTECDIYPLRVGIRSVAVKGEQFLINHKPFYFTGFGRHEDADLRGKGFDNVLMVHDHALMDWIGANSYRTSHYPYAEEMLDWADEHGIVVIDETAAVGFNLSLGIGFEAGNKPKELYSEEAVNGETQQAHLQAIKELIARDKNHPSVVMWSIANEPDTRPQGAREYFAPLAEATRKLDPTRPITCVNVMFCDAHTDTISDLFDVLCLNRYYGWYVQSGDLETAEKVLEKELLAWQEKLHQPIIITEYGVDTLAGLHSMYTDMWSEEYQCAWLDMYHRVFDRVSAVVGEQVWNFADFATSQGILRVGGNKKGIFTRDRKPKSAAFLLQKRWTGMNFGEKPQQGGKQ
  
Inhibitor
Name:
BDBM50539703
Synonyms:
CHEMBL4635330
Type:
Small organic molecule
Emp. Form.:
C36H34O12
Mol. Mass.:
658.648
SMILES:
[H][C@@]12CO[C@@H](c3ccc4O[C@H](CO)[C@H](Oc4c3)c3ccc(O)c(O)c3)[C@]1([H])CO[C@H]2c1ccc2O[C@H](CO)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
Structure:
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