| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Isochorismate synthase EntC |
|---|
| Ligand | BDBM50317146 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_630880 (CHEMBL1113009) |
|---|
| Ki | 430000±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 Chem53:3718-29 (2010) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Isochorismate synthase EntC |
|---|
| 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: | MDTSLAEEVQQTMATLAPNRFFFMSPYRSFTTSGCFARFDEPAVNGDSPDSPFQQKLAAL
FADAKAQGIKNPVMVGAIPFDPRQPSSLYIPESWQSFSRQEKQASARRFTRSQSLNVVER
QAIPEQTTFEQMVARAAALTATPQVDKVVLSRLIDITTDAAIDSGVLLERLIAQNPVSYN
FHVPLADGGVLLGASPELLLRKDGERFSSIPLAGSARRQPDEVLDREAGNRLLASEKDRH
EHELVTQAMKEVLRERSSELHVPSSPQLITTPTLWHLATPFEGKANSQENALTLACLLHP
TPALSGFPHQAATQVIAELEPFDRELFGGIVGWCDSEGNGEWVVTIRCAKLRENQVRLFA
GAGIVPASSPLGEWRETGVKLSTMLNVFGLH
|
|
|
|---|
| BDBM50317146 |
|---|
| n/a |
|---|
| Name | BDBM50317146 |
|---|
| Synonyms: | (S)-2-(3-(4-(3-benzoylpicolinamido)-5-(1-carbamoylcyclohexylamino)-5-oxopentylcarbamoyl)phenoxy)acetic acid | CHEMBL1094068 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C34H37N5O8 |
|---|
| Mol. Mass. | 643.6863 |
|---|
| SMILES | NC(=O)C1(CCCCC1)NC(=O)[C@H](CCCNC(=O)c1cccc(OCC(O)=O)c1)NC(=O)c1ncccc1C(=O)c1ccccc1 |r| |
|---|
| Structure | 
|
|---|
Search and Browse
