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Target
Pyruvate kinase
Ligand
BDBM50402640
Substrate
n/a
Meas. Tech.
ChEMBL_886791 (CHEMBL2210482)
IC50
178±n/a nM
Citation
 Kumar, NS; Amandoron, EA; Cherkasov, A; Finlay, BB; Gong, H; Jackson, L; Kaur, S; Lian, T; Moreau, A; Labrière, C; Reiner, NE; See, RH; Strynadka, NC; Thorson, L; Wong, EW; Worrall, L; Zoraghi, R; Young, 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 
Target
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:
MRKTKIVCTIGPASESEEMIEKLINAGMNVARLNFSHGSHEEHKGRIDTIRKVAKRLDKIVAILLDTKGPEIRTHNMKDGIIELERGNEVIVSMNEVEGTPEKFSVTYENLINDVQVGSYILLDDGLIELQVKDIDHAKKEVKCDILNSGELKNKKGVNLPGVRVSLPGITEKDAEDIRFGIKENVDFIAASFVRRPSDVLEIREILEEQKANISVFPKIENQEGIDNIEEILEVSDGLMVARGDMGVEIPPEKVPMVQKDLIRQCNKLGKPVITATQMLDSMQRNPRATRAEASDVANAIYDGTDAVMLSGETAAGLYPEEAVKTMRNIAVSAEAAQDYKKLLSDRTKLVETSLVNAIGISVAHTALNLNVKAIVAATESGSTARTISKYRPHSDIIAVTPSEETARQCSIVWGVQPVVKKGRKSTDALLNNAVATAVETGRVTNGDLIIITAGVPTGETGTTNMMKIHLVGDEIANGQGIGRGSVVGTTLVAETVKDLEGKDLSDKVIVTNSIDETFVPYVEKALGLITEENGITSPSAIVGLEKGIPTVVGVEKAVKNISNNVLVTIDAAQGKIFEGYANVL
  
Inhibitor
Name:
BDBM50402640
Synonyms:
CHEMBL2206706
Type:
Small organic molecule
Emp. Form.:
C18H16BrN3O3
Mol. Mass.:
402.242
SMILES:
COc1ccc2[nH]c(cc2c1)C(C)=NNC(=O)c1cc(Br)ccc1O |w:13.15|
Structure:
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