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Target
Isochorismate synthase EntC
Ligand
BDBM50317144
Substrate
n/a
Meas. Tech.
ChEMBL_630880 (CHEMBL1113009)
Ki
170000±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:
BDBM50317144
Synonyms:
CHEMBL1094071 | {3-[(S)-4-(4-Carbamoyl-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ylcarbamoyl)-4-(4-phenoxy-benzoylamino)-butylcarbamoyl]-phenoxy}-acetic acid
Type:
Small organic molecule
Emp. Form.:
C33H36N4O10S
Mol. Mass.:
680.725
SMILES:
NC(=O)C1(CCS(=O)(=O)CC1)NC(=O)[C@H](CCCNC(=O)c1cccc(OCC(O)=O)c1)NC(=O)c1ccc(Oc2ccccc2)cc1 |r|
Structure:
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