Reaction Details |
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Target | Pyruvate kinase |
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Ligand | BDBM50402634 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_886791 (CHEMBL2210482) |
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IC50 | 165±n/a nM |
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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 Chem20:7069-82 (2012) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Pyruvate kinase |
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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
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BDBM50402634 |
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n/a |
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Name | BDBM50402634 |
Synonyms: | CHEMBL2206714 |
Type | Small organic molecule |
Emp. Form. | C18H15BrFN3O2 |
Mol. Mass. | 404.233 |
SMILES | CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2cc(F)ccc2n1C |w:2.2| |
Structure |
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