| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-glucuronidase |
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| Ligand | BDBM163637 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Inhibition Assays |
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| Ki | 2.1e+2± 3e+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 Biol22:1238-49 (2015) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Beta-glucuronidase |
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| Name: | Beta-glucuronidase |
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| Synonyms: | β-Glucuronidase | BGLR_ECOLI | Beta-glucuronidase (EcGUS) | gurA | gusA | uidA |
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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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| BDBM163637 |
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| n/a |
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| Name | BDBM163637 |
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| Synonyms: | 3[(6,7Dimethyl2oxo1,2dihydroquinolin3yl)methyl]3(2hydroxyethyl)1(3 methoxyphenyl)thiourea (Inh 2) | US9334288, 4 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H25N3O3S |
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| Mol. Mass. | 411.517 |
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| SMILES | COc1cccc(NC(=S)N(CCO)Cc2cc3cc(C)c(C)cc3[nH]c2=O)c1 |
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| Structure | 
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