Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBeta-glucuronidase
LigandBDBM163639
Substrate/Competitorn/a
Meas. Tech.Inhibition Assays
Ki 1.4e+3± 2e+2 nM
Citation Wallace, BDRoberts, ABPollet, RMIngle, JDBiernat, KAPellock, SJVenkatesh, MKGuthrie, LO'Neal, SKRobinson, SJDollinger, MFigueroa, EMcShane, SRCohen, RDJin, JFrye, SVZamboni, WCPepe-Ranney, CMani, SKelly, LRedinbo, MR Structure and Inhibition of Microbiome ß-Glucuronidases Essential to the Alleviation of Cancer Drug Toxicity. Chem Biol22:1238-49 (2015) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Beta-glucuronidase
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:
MLRPVETPTREIKKLDGLWAFSLDRENCGIDQRWWESALQESRAIAVPGSFNDQFADADI
RNYAGNVWYQREVFIPKGWAGQRIVLRFDAVTHYGKVWVNNQEVMEHQGGYTPFEADVTP
YVIAGKSVRITVCVNNELNWQTIPPGMVITDENGKKKQSYFHDFFNYAGIHRSVMLYTTP
NTWVDDITVVTHVAQDCNHASVDWQVVANGDVSVELRDADQQVVATGQGTSGTLQVVNPH
LWQPGEGYLYELCVTAKSQTECDIYPLRVGIRSVAVKGEQFLINHKPFYFTGFGRHEDAD
LRGKGFDNVLMVHDHALMDWIGANSYRTSHYPYAEEMLDWADEHGIVVIDETAAVGFNLS
LGIGFEAGNKPKELYSEEAVNGETQQAHLQAIKELIARDKNHPSVVMWSIANEPDTRPQG
AREYFAPLAEATRKLDPTRPITCVNVMFCDAHTDTISDLFDVLCLNRYYGWYVQSGDLET
AEKVLEKELLAWQEKLHQPIIITEYGVDTLAGLHSMYTDMWSEEYQCAWLDMYHRVFDRV
SAVVGEQVWNFADFATSQGILRVGGNKKGIFTRDRKPKSAAFLLQKRWTGMNFGEKPQQG
GKQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM163639
n/a
NameBDBM163639
Synonyms:Methyl 2({[(6ethyl2oxo1,2dihydroquinolin3yl)methyl](2 hydroxyethyl)carbamothioyl}amino)benzoate (Inh 4) | US9334288, 6
TypeSmall organic molecule
Emp. Form.C23H25N3O4S
Mol. Mass.439.527
SMILESCCc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccccc3C(=O)OC)cc2c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: