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Target
Isochorismate synthase EntC
Ligand
BDBM50317150
Substrate
n/a
Meas. Tech.
ChEMBL_630880 (CHEMBL1113009)
Ki
790000±n/a nM
Citation
 Ziebart, KT; Dixon, SM; Avila, B; El-Badri, MH; Guggenheim, KG; Kurth, MJ; Toney, MD Targeting multiple chorismate-utilizing enzymes with a single inhibitor: validation of a three-stage design. J Med Chem 53:3718-29 (2010) [PubMed]  Article 
Target
Name:
Isochorismate synthase EntC
Synonyms:
ENTC_ECOLI | entC
Type:
PROTEIN
Mol. Mass.:
42926.09
Organism:
Escherichia coli (strain K12)
Description:
ChEMBL_630880
Residue:
391
Sequence:
MDTSLAEEVQQTMATLAPNRFFFMSPYRSFTTSGCFARFDEPAVNGDSPDSPFQQKLAALFADAKAQGIKNPVMVGAIPFDPRQPSSLYIPESWQSFSRQEKQASARRFTRSQSLNVVERQAIPEQTTFEQMVARAAALTATPQVDKVVLSRLIDITTDAAIDSGVLLERLIAQNPVSYNFHVPLADGGVLLGASPELLLRKDGERFSSIPLAGSARRQPDEVLDREAGNRLLASEKDRHEHELVTQAMKEVLRERSSELHVPSSPQLITTPTLWHLATPFEGKANSQENALTLACLLHPTPALSGFPHQAATQVIAELEPFDRELFGGIVGWCDSEGNGEWVVTIRCAKLRENQVRLFAGAGIVPASSPLGEWRETGVKLSTMLNVFGLH
  
Inhibitor
Name:
BDBM50317150
Synonyms:
CHEMBL1088356 | N-((S)-6-Amino-1-((S)-1-amino-3-(3-chlorophenyl)-1-oxopropan-2-ylamino)-1-oxohexan-2-yl)-3-hydroxy-4-methyl-2-nitrobenzamide
Type:
Small organic molecule
Emp. Form.:
C23H28ClN5O6
Mol. Mass.:
505.951
SMILES:
Cc1ccc(C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2cccc(Cl)c2)C(N)=O)c(c1O)[N+]([O-])=O |r|
Structure:
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