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Target
Pyruvate kinase
Ligand
BDBM50210347
Substrate
n/a
Meas. Tech.
ChEBML_1634707
IC50
2.0±n/a nM
Citation
 Labrière, C; Gong, H; Finlay, BB; Reiner, NE; Young, RN Further investigation of inhibitors of MRSA pyruvate kinase: Towards the conception of novel antimicrobial agents. Eur J Med Chem 125:1-13 (2017) [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:
BDBM50210347
Synonyms:
CHEMBL3921820
Type:
Small organic molecule
Emp. Form.:
C16H10Br2N4O
Mol. Mass.:
434.085
SMILES:
Brc1ccc2[nH]c(NC(=O)c3cc4ccc(Br)cc4[nH]3)nc2c1
Structure:
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