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Target
Pyruvate kinase
Ligand
BDBM50210457
Substrate
n/a
Meas. Tech.
ChEMBL_1634707 (CHEMBL3877605)
IC50
14±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:
BDBM50210457
Synonyms:
CHEMBL3925374
Type:
Small organic molecule
Emp. Form.:
C17H11Br2NO2
Mol. Mass.:
421.083
SMILES:
Oc1cc(Br)ccc1\C=C\C(=O)c1cc2ccc(Br)cc2[nH]1
Structure:
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