| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-glucuronidase (EcGUS) |
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| Ligand | BDBM163636 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Inhibition Assays |
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| Ki | 1.6e+2± 1e+1 nM |
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| 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 |
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| More Info.: | Get all data from this article, Assay Method |
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| Beta-glucuronidase (EcGUS) |
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| Name: | Beta-glucuronidase (EcGUS) |
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| Synonyms: | β-Glucuronidase |
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| Type: | Protein |
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| Mol. Mass.: | 68431.57 |
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| Organism: | Escherichia coli (Enterobacteria) |
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| Description: | P05804 |
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| Residue: | 603 |
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| Sequence: | MLRPVETPTREIKKLDGLWAFSLDRENCGIDQRWWESALQESRAIAVPGSFNDQFADADI
RNYAGNVWYQREVFIPKGWAGQRIVLRFDAVTHYGKVWVNNQEVMEHQGGYTPFEADVTP
YVIAGKSVRITVCVNNELNWQTIPPGMVITDENGKKKQSYFHDFFNYAGIHRSVMLYTTP
NTWVDDITVVTHVAQDCNHASVDWQVVANGDVSVELRDADQQVVATGQGTSGTLQVVNPH
LWQPGEGYLYELCVTAKSQTECDIYPLRVGIRSVAVKGEQFLINHKPFYFTGFGRHEDAD
LRGKGFDNVLMVHDHALMDWIGANSYRTSHYPYAEEMLDWADEHGIVVIDETAAVGFNLS
LGIGFEAGNKPKELYSEEAVNGETQQAHLQAIKELIARDKNHPSVVMWSIANEPDTRPQG
AREYFAPLAEATRKLDPTRPITCVNVMFCDAHTDTISDLFDVLCLNRYYGWYVQSGDLET
AEKVLEKELLAWQEKLHQPIIITEYGVDTLAGLHSMYTDMWSEEYQCAWLDMYHRVFDRV
SAVVGEQVWNFADFATSQGILRVGGNKKGIFTRDRKPKSAAFLLQKRWTGMNFGEKPQQG
GKQ
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| BDBM163636 |
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| n/a |
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| Name | BDBM163636 |
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| Synonyms: | 3[(6,8Dimethyl2oxo1,2dihydroquinolin3 yl)methyl]1(4ethoxyphenyl)3(2hydroxyethyl)thiourea (Inh 1) | US9334288, 1 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H27N3O3S |
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| Mol. Mass. | 425.544 |
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| SMILES | CCOc1ccc(NC(=S)N(CCO)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 |
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| Structure | 
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