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Target
Pyruvate kinase
Ligand
BDBM50029030
Substrate
n/a
Meas. Tech.
ChEMBL_1434805 (CHEMBL3384034)
IC50
12500±n/a nM
Citation
 Zoraghi, R; Campbell, S; Kim, C; Dullaghan, EM; Blair, LM; Gillard, RM; Reiner, NE; Sperry, J Discovery of a 1,2-bis(3-indolyl)ethane that selectively inhibits the pyruvate kinase of methicillin-resistant Staphylococcus aureus over human isoforms. Bioorg Med Chem Lett 24:5059-62 (2014) [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:
BDBM50029030
Synonyms:
CHEMBL3339201
Type:
Small organic molecule
Emp. Form.:
C18H15ClN2
Mol. Mass.:
294.778
SMILES:
Clc1ccc2[nH]cc(CCc3c[nH]c4ccccc34)c2c1
Structure:
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