Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetPyruvate kinase
LigandBDBM50402629
Substrate/Competitorn/a
Meas. Tech.ChEMBL_886791 (CHEMBL2210482)
IC50 61±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 Chem20:7069-82 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Pyruvate kinase
Name:Pyruvate kinase
Synonyms:KPYK_STAAR | 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:
BDBM50402629
n/a
NameBDBM50402629
Synonyms:CHEMBL2206720
TypeSmall organic molecule
Emp. Form.C18H14BrF2N3O2
Mol. Mass.422.223
SMILESCC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(F)c(F)cc2n1C |w:2.2|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: