| Reaction Details |
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 | Report a problem with these data |
| Target | Isochorismate synthase EntC |
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| Ligand | BDBM50317142 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_630880 (CHEMBL1113009) |
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| Ki | 56000±n/a nM |
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| 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 Chem53:3718-29 (2010) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Isochorismate synthase EntC |
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| Name: | Isochorismate synthase EntC |
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| Synonyms: | ENTC_ECOLI | entC |
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| Type: | PROTEIN |
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| Mol. Mass.: | 42926.09 |
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| Organism: | Escherichia coli (strain K12) |
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| Description: | ChEMBL_630880 |
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| Residue: | 391 |
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| Sequence: | MDTSLAEEVQQTMATLAPNRFFFMSPYRSFTTSGCFARFDEPAVNGDSPDSPFQQKLAAL
FADAKAQGIKNPVMVGAIPFDPRQPSSLYIPESWQSFSRQEKQASARRFTRSQSLNVVER
QAIPEQTTFEQMVARAAALTATPQVDKVVLSRLIDITTDAAIDSGVLLERLIAQNPVSYN
FHVPLADGGVLLGASPELLLRKDGERFSSIPLAGSARRQPDEVLDREAGNRLLASEKDRH
EHELVTQAMKEVLRERSSELHVPSSPQLITTPTLWHLATPFEGKANSQENALTLACLLHP
TPALSGFPHQAATQVIAELEPFDRELFGGIVGWCDSEGNGEWVVTIRCAKLRENQVRLFA
GAGIVPASSPLGEWRETGVKLSTMLNVFGLH
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| BDBM50317142 |
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| n/a |
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| Name | BDBM50317142 |
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| 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 |
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| Type | Small organic molecule |
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| Emp. Form. | C32H35N5O12 |
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| Mol. Mass. | 681.6466 |
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| 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| |
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| Structure | 
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