Reaction Details Report a problem with these data
Target
Isochorismate synthase EntC
Ligand
BDBM50317142
Substrate
n/a
Meas. Tech.
ChEMBL_630880 (CHEMBL1113009)
Ki
56000±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
More Info.:
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:
BDBM50317142
Synonyms:
2-(3-((S)-5-((S)-1-amino-3-(3-hydroxy-4-nitrophenyl)-1-oxopropan-2-ylamino)-4-(3,5-dimethoxybenzamido)-5-oxopentylcarbamoyl)phenoxy)acetic acid | CHEMBL1094070
Type:
Small organic molecule
Emp. Form.:
C32H35N5O12
Mol. Mass.:
681.6466
SMILES:
COc1cc(OC)cc(c1)C(=O)N[C@@H](CCCNC(=O)c1cccc(OCC(O)=O)c1)C(=O)N[C@@H](Cc1ccc(c(O)c1)[N+]([O-])=O)C(N)=O |r|