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TargetPyruvate kinase
LigandBDBM50402624
Substrate/Competitorn/a
Meas. Tech.ChEMBL_886791
IC50 91±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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50402624
n/a
NameBDBM50402624
Synonyms:CHEMBL2206164
TypeSmall organic molecule
Emp. Form.C16H13BrN4O2
Mol. Mass.373.204
SMILESCC(=NNC(=O)c1cc(Br)ccc1O)c1nc2ccccc2[nH]1 |w:2.2|
Structure
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