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Target
Beta-glucuronidase
Ligand
BDBM50233863
Substrate
n/a
Meas. Tech.
ChEBML_1651662
IC50
8100±n/a nM
Citation
 Salar, U; Khan, KM; Taha, M; Ismail, NH; Ali, B; Qurat-Ul-Ain, na; Perveen, S; Ghufran, M; Wadood, A Biology-oriented drug synthesis (BIODS): In vitroß-glucuronidase inhibitory and in silico studies on 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl aryl carboxylate derivatives. Eur J Med Chem 125:1289-1299 (2017) [PubMed]  Article 
Target
Name:
Beta-glucuronidase
Synonyms:
Beta-glucuronidase | Beta-glucuronidase (β-glucuronidase) | EMBL:AAI33416.1 | Ensembl:ENSBTAP00000000941 | Ensembl:ENSBTAP00000000941} | GUSB
Type:
Protein
Mol. Mass.:
74467.69
Organism:
Bos taurus (Bovine)
Description:
EC 3.2.1.31, bovine liver
Residue:
652
Sequence:
MLRGSAGAWAVLGPLLWGCGLSLLQGGMLYPRESRSRERKELDGLWSFRADFSDNRRQGFEQQWYRAPLRESGPTLDMPVPSSFNDVGQDGQLRSFVGWVWYEREITLPQRWTEDLGTRVVLRIGSAHYYAIVWVNGVHVLEHEGGHLPFEADISKLVQSGPLSSCRITIAINNTLSPHTLPPGTILYKTDPSMYPKGYFVQNTKFDFFNYAGLHRSVLLYTTPTTYIDDITVTTDMDQDIGLVNYQIIVQGSDHFQVDVSLLDEEGKVMAKGAGAEGQLQVPSAHLWWPYLMHEHPAYLYSLEVKLTAQTAVGPVSDFYTLPVGIRTVAVTKSQFLINGKPFYFRGVNKHEDADIRGKGFDWPLLVKDFNLLRWLGANAFRTSHYPYSEEVLQLCDRYGIVVIDESPGVGIVLVESFSNVSLQHHLEVMEEMIRRDKNHPAVVMWSLANEPASFLKPAGYYFKTLIAHTKALDPSRPVTFVTNTNYEADLGAPYVDIICVNSYYSWYHDYGHMEVIQLQLATQFENWYKAYQKPMIQSEYGADAIEGFHEDPPLMFSEEYQKGLLQQYHVVLDQKRKEYVVGELIWNFADFMTNQSPVRMIGNRKGIFTRQRQPKSAAFLLRERYWKLANETRYQRSAVTSQCVGSGLFTV
  
Inhibitor
Name:
BDBM50233863
Synonyms:
CHEMBL4078230
Type:
Small organic molecule
Emp. Form.:
C13H12FN3O4
Mol. Mass.:
293.2505
SMILES:
Cc1ncc(n1CCOC(=O)c1cccc(F)c1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: