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Target
Enterobactin synthase component E
Ligand
BDBM50186354
Substrate
n/a
Meas. Tech.
ChEMBL_365936 (CHEMBL869697)
Ki
9±n/a nM
Citation
 Callahan, BP; Lomino, JV; Wolfenden, R Nanomolar inhibition of the enterobactin biosynthesis enzyme, EntE: synthesis, substituent effects, and additivity. Bioorg Med Chem Lett 16:3802-5 (2006) [PubMed]  Article 
Target
Name:
Enterobactin synthase component E
Synonyms:
ENTE_ECOLI | Enterobactin synthetase component E | entE
Type:
PROTEIN
Mol. Mass.:
59103.38
Organism:
Escherichia coli (strain K12)
Description:
ChEMBL_365936
Residue:
536
Sequence:
MSIPFTRWPEEFARRYREKGYWQDLPLTDILTRHAASDSIAVIDGERQLSYRELNQAADNLACSLRRQGIKPGETALVQLGNVAELYITFFALLKLGVAPVLALFSHQRSELNAYASQIEPALLIADRQHALFSGDDFLNTFVTEHSSIRVVQLLNDSGEHNLQDAINHPAEDFTATPSPADEVAYFQLSGGTTGTPKLIPRTHNDYYYSVRRSVEICQFTQQTRYLCAIPAAHNYAMSSPGSLGVFLAGGTVVLAADPSATLCFPLIEKHQVNVTALVPPAVSLWLQALIEGESRAQLASLKLLQVGGARLSATLAARIPAEIGCQLQQVFGMAEGLVNYTRLDDSAEKIIHTQGYPMCPDDEVWVADAEGNPLPQGEVGRLMTRGPYTFRGYYKSPQHNASAFDANGFYCSGDLISIDPEGYITVQGREKDQINRGGEKIAAEEIENLLLRHPAVIYAALVSMEDELMGEKSCAYLVVKEPLRAVQVRRFLREQGIAEFKLPDRVECVDSLPLTAVGKVDKKQLRQWLASRASA
  
Inhibitor
Name:
BDBM50186354
Synonyms:
2,3-dihydroxybenzohydroxamoyl adenylate
Type:
Small organic molecule
Emp. Form.:
C17H17N5O10P
Mol. Mass.:
482.3187
SMILES:
O[C@@H]1[C@@H](COP([O-])(=O)ONC(=O)c2cccc(O)c2O)O[C@H]([C@@H]1O)n1cnc2cncnc12
Structure:
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