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TargetPyruvate kinase
LigandBDBM50402630
Substrate/Competitorn/a
Meas. Tech.ChEMBL_886791
IC50 17±n/a nM
Citation Kumar NSAmandoron EACherkasov AFinlay BBGong HJackson LKaur SLian TMoreau ALabrière CReiner NESee RHStrynadka NCThorson LWong EWWorrall LZoraghi RYoung RN Optimization and structure-activity relationships of a series of potent inhibitors of methicillin-resistant Staphylococcus aureus (MRSA) pyruvate kinase as novel antimicrobial agents. Bioorg Med Chem 20:7069-82 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Pyruvate kinase
Name:Pyruvate kinase
Synonyms:PK | pyk
Type:PROTEIN
Mol. Mass.:63128.44
Organism:Staphylococcus aureus (strain MRSA252)
Description:ChEMBL_1434805
Residue:585
Sequence:
MRKTKIVCTIGPASESEEMIEKLINAGMNVARLNFSHGSHEEHKGRIDTIRKVAKRLDKI
VAILLDTKGPEIRTHNMKDGIIELERGNEVIVSMNEVEGTPEKFSVTYENLINDVQVGSY
ILLDDGLIELQVKDIDHAKKEVKCDILNSGELKNKKGVNLPGVRVSLPGITEKDAEDIRF
GIKENVDFIAASFVRRPSDVLEIREILEEQKANISVFPKIENQEGIDNIEEILEVSDGLM
VARGDMGVEIPPEKVPMVQKDLIRQCNKLGKPVITATQMLDSMQRNPRATRAEASDVANA
IYDGTDAVMLSGETAAGLYPEEAVKTMRNIAVSAEAAQDYKKLLSDRTKLVETSLVNAIG
ISVAHTALNLNVKAIVAATESGSTARTISKYRPHSDIIAVTPSEETARQCSIVWGVQPVV
KKGRKSTDALLNNAVATAVETGRVTNGDLIIITAGVPTGETGTTNMMKIHLVGDEIANGQ
GIGRGSVVGTTLVAETVKDLEGKDLSDKVIVTNSIDETFVPYVEKALGLITEENGITSPS
AIVGLEKGIPTVVGVEKAVKNISNNVLVTIDAAQGKIFEGYANVL
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  Blast E-value cutoff:
BDBM50402630
n/a
NameBDBM50402630
Synonyms:CHEMBL2206719
TypeSmall organic molecule
Emp. Form.C18H15Br2N3O2
Mol. Mass.465.139
SMILESCC(=NNC(=O)c1cc(Br)ccc1O)c1cc2ccc(Br)cc2n1C |w:2.2|
Structure
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