Reaction Details Report a problem with these data
Target
Beta-glucuronidase
Ligand
BDBM236513
Substrate
n/a
Meas. Tech.
β-Glucuronidase Inhibition Assay
pH
7±0
Temperature
310.15±0 K
IC50
2.216e+5± 1.25e+4 nM
Citation
 Choudhary, MI; Zafar, S; Khan, NT; Ahmad, S; Noreen, S; Marasini, BP; Al-Khedhairy, AA; Atta-Ur-Rahman, null Biotransformation of dehydroepiandrosterone with Macrophomina phaseolina and ß-glucuronidase inhibitory activity of transformed products. J Enzyme Inhib Med Chem 27:348-55 (2012) [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:
BDBM236513
Synonyms:
Androst-4-ene-3β-ol-6,17-dione (7)
Type:
Small organic molecule
Emp. Form.:
C19H26O3
Mol. Mass.:
302.4079
SMILES:
C[C@]12CC[C@H]3[C@@H](CC(=O)C4=C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O |r,t:9|
Structure:
Search PDB for entries with ligand similarity: