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Target
Bifunctional protein GlmU
Ligand
BDBM50365095
Substrate
n/a
Meas. Tech.
ChEMBL_1473763 (CHEMBL3418280)
IC50
250±n/a nM
Citation
 Mehra, R; Sharma, R; Khan, IA; Nargotra, A Identification and optimization of Escherichia coli GlmU inhibitors: an in silico approach with validation thereof. Eur J Med Chem 92:78-90 (2015) [PubMed]  Article 
Target
Name:
Bifunctional protein GlmU
Synonyms:
Bifunctional protein (GlmU) | GLMU_ECOLI | Glucosamine-1-phosphate N-acetyltransferase | UDP-N-acetylglucosamine pyrophosphorylase | glmU | yieA
Type:
Enzyme
Mol. Mass.:
49189.50
Organism:
Escherichia coli
Description:
P0ACC7
Residue:
456
Sequence:
MLNNAMSVVILAAGKGTRMYSDLPKVLHTLAGKAMVQHVIDAANELGAAHVHLVYGHGGDLLKQALKDDNLNWVLQAEQLGTGHAMQQAAPFFADDEDILMLYGDVPLISVETLQRLRDAKPQGGIGLLTVKLDDPTGYGRITRENGKVTGIVEHKDATDEQRQIQEINTGILIANGADMKRWLAKLTNNNAQGEYYITDIIALAYQEGREIVAVHPQRLSEVEGVNNRLQLSRLERVYQSEQAEKLLLAGVMLRDPARFDLRGTLTHGRDVEIDTNVIIEGNVTLGHRVKIGTGCVIKNSVIGDDCEISPYTVVEDANLAAACTIGPFARLRPGAELLEGAHVGNFVEMKKARLGKGSKAGHLTYLGDAEIGDNVNIGAGTITCNYDGANKFKTIIGDDVFVGSDTQLVAPVTVGKGATIAAGTTVTRNVGENALAISRVPQTQKEGWRRPVKKK
  
Inhibitor
Name:
BDBM50365095
Synonyms:
CHEMBL1951184
Type:
Small organic molecule
Emp. Form.:
C29H37N3O11S
Mol. Mass.:
635.683
SMILES:
COc1cc(OC)c(cc1NC(=O)CCC(O)=O)S(=O)(=O)NCc1ccccc1N1CCC(COC(=O)CCC(O)=O)CC1
Structure:
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