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Target
Beta-glucuronidase
Ligand
BDBM163639
Substrate
n/a
Meas. Tech.
Inhibition Assays
Ki
1.4e+3± 2e+2 nM
Citation
 Wallace, BD; Roberts, AB; Pollet, RM; Ingle, JD; Biernat, KA; Pellock, SJ; Venkatesh, MK; Guthrie, L; O'Neal, SK; Robinson, SJ; Dollinger, M; Figueroa, E; McShane, SR; Cohen, RD; Jin, J; Frye, SV; Zamboni, WC; Pepe-Ranney, C; Mani, S; Kelly, L; Redinbo, MR Structure and Inhibition of Microbiome ß-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity. Chem Biol 22:1238-49 (2015) [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:
BDBM163639
Synonyms:
Methyl 2({[(6ethyl2oxo1,2dihydroquinolin3yl)methyl](2 hydroxyethyl)carbamothioyl}amino)benzoate (Inh 4) | US9334288, 6
Type:
Small organic molecule
Emp. Form.:
C23H25N3O4S
Mol. Mass.:
439.527
SMILES:
CCc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccccc3C(=O)OC)cc2c1
Structure:
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