Target
Beta-glucuronidase
Ligand
BDBM163641
Substrate
n/a
Meas. Tech.
Inhibition Assays
Ki
6.7e+2± 3e+1 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 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:
BDBM163641
Synonyms:
1[2(3Fluorophenyl)5H,6H,7H,8Hpyrazolo[3,2b]quinazolin9yl]piperazine (Inh 6) | US9334288, 7
Type:
Small organic molecule
Emp. Form.:
C20H22FN5
Mol. Mass.:
351.4206
SMILES:
Fc1cccc(c1)-c1cc2nc3CCCCc3c(N3CCNCC3)n2n1
Structure:
Search PDB for entries with ligand similarity: