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Target
Beta-glucuronidase
Ligand
BDBM50545189
Substrate
n/a
Meas. Tech.
ChEMBL_1994482 (CHEMBL4628377)
IC50
7010±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:
BDBM50545189
Synonyms:
CHEMBL4647000
Type:
Small organic molecule
Emp. Form.:
C16H20N4O3S
Mol. Mass.:
348.42
SMILES:
CCN(CC)C(=O)C1=C(C)NC(=S)NC1c1ccc(cc1)[N+]([O-])=O |c:7|
Structure:
Search PDB for entries with ligand similarity: