| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Pyruvate kinase |
|---|
| Ligand | BDBM50402617 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_886791 (CHEMBL2210482) |
|---|
| IC50 | 63±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 Chem20:7069-82 (2012) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Pyruvate kinase |
|---|
| 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
|
|
|
|---|
| BDBM50402617 |
|---|
| n/a |
|---|
| Name | BDBM50402617 |
|---|
| Synonyms: | CHEMBL2206174 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C19H18BrN3O2 |
|---|
| Mol. Mass. | 400.269 |
|---|
| SMILES | CCOc1ccc(Br)cc1C(=O)NN=C(C)c1cc2ccccc2[nH]1 |w:13.13| |
|---|
| Structure | 
|
|---|
Search and Browse
