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Target
Beta-glucuronidase
Ligand
BDBM163643
Substrate
n/a
Meas. Tech.
Inhibition Assays
Ki
9.6e+2± 3e+1 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:
BDBM163643
Synonyms:
2[4(2H1,3benzodioxol5ylmethyl)piperazin1yl]N(2,5dimethoxycyclohexyl)acetamide (Inh 8) | US9334288, 8
Type:
Small organic molecule
Emp. Form.:
C22H33N3O5
Mol. Mass.:
419.5145
SMILES:
COC1CCC(OC)C(C1)NC(=O)CN1CCN(Cc2ccc3OCOc3c2)CC1
Structure:
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