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Target
Beta-glucuronidase
Ligand
BDBM50284059
Substrate
n/a
Meas. Tech.
ChEMBL_1726779 (CHEMBL4142057)
IC50
32800±n/a nM
Citation
 Taha, M; Ullah, H; Al Muqarrabun, LMR; Khan, MN; Rahim, F; Ahmat, N; Ali, M; Perveen, S Synthesis of bis-indolylmethanes as new potential inhibitors of ?-glucuronidase and their molecular docking studies. Eur J Med Chem 143:1757-1767 (2018) [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:
BDBM50284059
Synonyms:
CHEMBL4164118
Type:
Small organic molecule
Emp. Form.:
C42H36N6O4
Mol. Mass.:
688.773
SMILES:
COc1ccc(\C=N\NC(=O)c2ccc3[nH]cc(C(c4c[nH]c5ccc(cc45)C(=O)N\N=C\c4ccc(OC)cc4)c4ccc(C)cc4)c3c2)cc1
Structure:
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