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Target
Isochorismate synthase EntC
Ligand
BDBM50317145
Substrate
n/a
Meas. Tech.
ChEMBL_630880 (CHEMBL1113009)
Ki
260000±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:
BDBM50317145
Synonyms:
2-(3-((S)-5-((S)-1-amino-3-(4-cyanophenyl)-1-oxopropan-2-ylamino)-4-(3-hydroxy-4-methyl-2-nitrobenzamido)-5-oxopentylcarbamoyl)phenoxy)acetic acid | CHEMBL1094067
Type:
Small organic molecule
Emp. Form.:
C32H32N6O10
Mol. Mass.:
660.6307
SMILES:
Cc1ccc(C(=O)N[C@@H](CCCNC(=O)c2cccc(OCC(O)=O)c2)C(=O)N[C@@H](Cc2ccc(cc2)C#N)C(N)=O)c(c1O)[N+]([O-])=O |r|
Structure:
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