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Target
Bifunctional protein GlmU
Ligand
BDBM50102677
Substrate
n/a
Meas. Tech.
ChEMBL_1443091 (CHEMBL3380797)
IC50
120±n/a nM
Citation
 Doig, P; Boriack-Sjodin, PA; Dumas, J; Hu, J; Itoh, K; Johnson, K; Kazmirski, S; Kinoshita, T; Kuroda, S; Sato, TO; Sugimoto, K; Tohyama, K; Aoi, H; Wakamatsu, K; Wang, H Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping. Bioorg Med Chem 22:6256-69 (2014) [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:
BDBM50102677
Synonyms:
CHEMBL3343057
Type:
Small organic molecule
Emp. Form.:
C24H25N5O5
Mol. Mass.:
463.4858
SMILES:
COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1
Structure:
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