Reaction Details Report a problem with these data
Target
Beta-glucuronidase
Ligand
BDBM50233861
Substrate
n/a
Meas. Tech.
ChEMBL_1994481 (CHEMBL4628376)
IC50
1200±n/a nM
Citation
 Iraji, A; Nouri, A; Edraki, N; Pirhadi, S; Khoshneviszadeh, M; Khoshneviszadeh, M One-pot synthesis of thioxo-tetrahydropyrimidine derivatives as potent ?-glucuronidase inhibitor, biological evaluation, molecular docking and molecular dynamics studies. Bioorg Med Chem 28:0 (2020) [PubMed]  Article 
Target
Name:
Beta-glucuronidase
Synonyms:
β-Glucuronidase | BGLR_HUMAN | Beta-G1 | Beta-glucuronidase | GUSB | beta-Glucuronidase (β-glucuronidase)
Type:
Protein
Mol. Mass.:
74736.05
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
651
Sequence:
MARGSAVAWAALGPLLWGCALGLQGGMLYPQESPSRECKELDGLWSFRADFSDNRRRGFEEQWYRRPLWESGPTVDMPVPSSFNDISQDWRLRHFVGWVWYEREVILPERWTQDLRTRVVLRIGSAHSYAIVWVNGVDTLEHEGGYLPFEADISNLVQVGPLPSRLRITIAINNTLTPTTLPPGTIQYLTDTSKYPKGYFVQNTYFDFFNYAGLQRSVLLYTTPTTYIDDITVTTSVEQDSGLVNYQISVKGSNLFKLEVRLLDAENKVVANGTGTQGQLKVPGVSLWWPYLMHERPAYLYSLEVQLTAQTSLGPVSDFYTLPVGIRTVAVTKSQFLINGKPFYFHGVNKHEDADIRGKGFDWPLLVKDFNLLRWLGANAFRTSHYPYAEEVMQMCDRYGIVVIDECPGVGLALPQFFNNVSLHHHMQVMEEVVRRDKNHPAVVMWSVANEPASHLESAGYYLKMVIAHTKSLDPSRPVTFVSNSNYAADKGAPYVDVICLNSYYSWYHDYGHLELIQLQLATQFENWYKKYQKPIIQSEYGAETIAGFHQDPPLMFTEEYQKSLLEQYHLGLDQKRRKYVVGELIWNFADFMTEQSPTRVLGNKKGIFTRQRQPKSAAFLLRERYWKIANETRYPHSVAKSQCLENSLFT
  
Inhibitor
Name:
BDBM50233861
Synonyms:
CHEMBL4084524
Type:
Small organic molecule
Emp. Form.:
C13H10ClF2N3O4
Mol. Mass.:
345.686
SMILES:
Cc1ncc(n1CCOC(=O)c1cc(F)c(F)cc1Cl)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: