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TargetBeta-galactosidase
LigandBDBM163638
Substrate/Competitorn/a
Meas. Tech.Inhibition Assays
Ki 1.1e+4± 3e+3 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-galactosidase
Name:Beta-galactosidase
Synonyms:Beta-glucuronidase (SaGUS)
Type:Protein
Mol. Mass.:69235.31
Organism:Streptococcus agalactiae (Firmicutes)
Description:A0A0E1EGE5
Residue:599
Sequence:
MLYPLLTKTRNTYDLGGIWNFKLGEHNPNELLPSDEVMVIPTSFNDLMVSKEKRDYIGDF
WYEKVIEVPKVSEGEEMVLRFGSVTHQAKIYVDGILVGEHKGGFTPFEVLVPECKYNNEK
IKVSICANNVLDYTTLPVGNYSEIIQEDGSIKKKVRENFDFFNYAGVHRPLKLMIRPKNH
ISDITITSRLSDDLQSADLHFLVETNQKVDEVRISVFDEDNKLVGETKDSRLFLSDVHLW
EVLNAYLYTARVEIFVDNQLQDVYEENFGLREIEVTNGQFLLNRKPIYFKGFGKHEDTFI
NGRGLNEAANLMDLNLLKDIGANSFRTSHYPYSEEMMRLADRMGVLVIDEVPAVGLFQNF
NASLDLSPKDNGTWSLMQTKAAHEQAIQELVKRDKNHPSVVMWVVANEPASHEAGAHDYF
EPLVKLYKDLDPQKRPVTLVNILMATPDRDQVMDLVDVVCLNRYYGWYVDHGDLTNAEVG
LRKELLEWQDKFPDKPIIITEYGADTLPGLHSTWNIPYTEEFQCDFYEMSHRVFDGIPNL
VGEQVWNFADFETNLMILRVQGNHKGLFSRNRQPKQVVKEFKKRWMTIPHYHNKKNSVK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM163638
n/a
NameBDBM163638
Synonyms:1(2Fluorophenyl)3(2hydroxyethyl)3[(6methyl2oxo1,2dihydroquinolin3yl)methyl]thiourea (Inh 3)
TypeSmall organic molecule
Emp. Form.C20H20FN3O2S
Mol. Mass.385.455
SMILESCc1ccc2[nH]c(=O)c(CN(CCO)C(=S)Nc3ccccc3F)cc2c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: